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The dataset generation failed because of a cast error
Error code: DatasetGenerationCastError
Exception: DatasetGenerationCastError
Message: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 1 new columns ({'Reaction3'})
This happened while the csv dataset builder was generating data using
hf://datasets/moshouxiaomu/CRPRBench/new_pattern_2.csv (at revision 6545f27ff9cca2202b8883068182e6919332d9f0)
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback: Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1871, in _prepare_split_single
writer.write_table(table)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 643, in write_table
pa_table = table_cast(pa_table, self._schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2293, in table_cast
return cast_table_to_schema(table, schema)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2241, in cast_table_to_schema
raise CastError(
datasets.table.CastError: Couldn't cast
ID: int64
Question_std: string
Question_CoT: string
Question_chem: string
Reaction1: string
Reaction2: string
Reaction3: string
Intermediate: string
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1214
to
{'ID': Value(dtype='int64', id=None), 'Question_std': Value(dtype='string', id=None), 'Question_CoT': Value(dtype='string', id=None), 'Question_chem': Value(dtype='string', id=None), 'Reaction1': Value(dtype='string', id=None), 'Reaction2': Value(dtype='string', id=None), 'Intermediate': Value(dtype='string', id=None)}
because column names don't match
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1433, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1050, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 925, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1001, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1742, in _prepare_split
for job_id, done, content in self._prepare_split_single(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1873, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 1 new columns ({'Reaction3'})
This happened while the csv dataset builder was generating data using
hf://datasets/moshouxiaomu/CRPRBench/new_pattern_2.csv (at revision 6545f27ff9cca2202b8883068182e6919332d9f0)
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
ID
int64 | Question_std
string | Question_CoT
string | Question_chem
string | Reaction1
string | Reaction2
string | Intermediate
string |
|---|---|---|---|---|---|---|
0
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C.[I-].[NH4+]>CCO.N>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N']
|
['CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N.N#Cc1cccc(B(O)O)c1>Cc1ccccc1C.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N']
|
['CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N']
|
1
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['N#Cc1cc(Br)ccc1CBr.C1COCCN1>CO.CCN(CC)CC>N#Cc1cc(Br)ccc1CN1CCOCC1']
|
['N#Cc1cc(Br)ccc1CN1CCOCC1.CCN(c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1>C1COCCO1.O.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1']
|
['N#Cc1cc(Br)ccc1CN1CCOCC1']
|
2
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1.Cl>ClCCl.C1COCCO1>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl']
|
['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl.CC(C)=O>ClCCl.CCN(CC)CC.CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1']
|
['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl']
|
3
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=C(O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1.CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1>CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F.CCN(C(C)C)C(C)C>CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1']
|
['CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1>ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2']
|
['CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1']
|
4
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COCOc1c(Br)ccc(OC(F)F)c1OC.CC1(C)OB(c2cccc3c2CCC3=O)OC1(C)C>CN(C)C=O.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Cs+].[Cs+]>COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC']
|
['COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC>CO.Cl>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O']
|
['COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC']
|
5
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['BrBr.CC(=O)c1ccncc1.Br.CC(=O)O>CCOC(C)=O>Br.O=C(CBr)c1ccncc1']
|
['CC(C)(C)OC(=O)N1CCC(CS)CC1.Br.O=C(CBr)c1ccncc1>C1COCCO1.CCOC(C)=O.CC(C)(C)[O-].[K+]>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1']
|
['Br.O=C(CBr)c1ccncc1']
|
6
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1.CN1CCN(CCCO)CC1>C1CCOC1.CC(C)(C)[O-].[K+]>CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1']
|
['CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1.CO.CO[K]>ClCCl.CS(C)=O>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1']
|
['CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1']
|
7
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=[N+]([O-])c1ccc(CO)c(O)c1>ClC(Cl)Cl.[Mn+4].[O-2].[O-2]>O=Cc1ccc([N+](=O)[O-])cc1O']
|
['O=Cc1ccc([N+](=O)[O-])cc1O.COC(=O)CCl>CCCC[N+](CCCC)(CCCC)CCCC.[I-].O.C1CCOC1.O=C([O-])[O-].[K+].[K+].[K+].[OH-].Cl>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1']
|
['O=Cc1ccc([N+](=O)[O-])cc1O']
|
8
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1>C1CCOC1.[BH4-].[Li+]>CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1']
|
['CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1>ClCCl.O.O=C(Cl)C(=O)Cl.CS(C)=O.CCN(CC)CC>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1']
|
['CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1']
|
9
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1>ClCCl.c1ccncc1.CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1']
|
['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1.Cl.NO>CCO.O=C([O-])[O-].[Na+].[Na+]>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1']
|
['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1']
|
10
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=C1CCCCC1.[Mg].FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1>CCOCC>OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1']
|
['OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1>Cc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1']
|
['OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1']
|
11
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['C=CC(C)=O.CC(C)C=O>c1ccccc1.O=S(=O)(O)O>CC1(C)C=CC(=O)CC1']
|
['O=S(O)c1ccccc1.[Na].CC1(C)C=CC(=O)CC1>O.Cl>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1']
|
['CC1(C)C=CC(=O)CC1']
|
12
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=C(O)[C@@H]1CCCNC1.CC(C)CC(=O)Cl>O.C1CCOC1.O=C([O-])O.[Na+]>CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1']
|
['CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1>C1CCOC1>CC(C)CC(=O)N1CCC[C@@H](CO)C1']
|
['CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1']
|
13
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl>CO.[Na+].[OH-]>O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl']
|
['O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl.N#Cc1cc(N)n(-c2ccccc2)n1>>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1']
|
['O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl']
|
14
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl>O=S(=O)(O)O.CCOC(C)=O.O.O=N[O-].[Na+]>O=C1C[C@H](c2ccc(Cl)cc2Br)CN1']
|
['O=C1C[C@H](c2ccc(Cl)cc2Br)CN1.C=Cc1ccccc1>CN(C)C=O.Cl.CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.CCN(C(C)C)C(C)C>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1']
|
['O=C1C[C@H](c2ccc(Cl)cc2Br)CN1']
|
15
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC1(C)CC(=O)CC(C)(C)N1OC1CCCCC1.CCCCN>O=[Pt].CCO.[H][H]>CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1']
|
['CCCCNc1nc(Cl)nc(Cl)n1.CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.[Na+].[OH-]>Cc1ccccc1C>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1']
|
['CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1']
|
16
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.N>>Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1']
|
['Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.CCCCCCCCCCCCCCCCCCI>CN(C)C=O.[H-].[Na+]>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21']
|
['Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1']
|
17
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=CC1CC(F)(F)C1.C[N+](=O)[O-]>ClCCl.CCN(C(C)C)C(C)C>O=[N+]([O-])CC(O)C1CC(F)(F)C1']
|
['O=[N+]([O-])CC(O)C1CC(F)(F)C1>CO.[Pd]>NCC(O)C1CC(F)(F)C1']
|
['O=[N+]([O-])CC(O)C1CC(F)(F)C1']
|
18
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1ccnc2[nH]ccc12.CC(C)[Mg]Cl.CCC1(CC)C(=O)OC(c2ccccc2)OC1=O>Cc1ccccc1>CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12']
|
['CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12>C1CCOC1.CCO.O.[K+].[OH-]>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12']
|
['CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12']
|
19
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(C)(C)OC(=O)N1CCC(O)C1.II>ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1c[nH]cn1>CC(C)(C)OC(=O)N1CCC(I)C1']
|
['Clc1ccc2oc3c(Cl)ncnc3c2c1.CC(C)(C)OC(=O)N1CCC(I)C1>>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1']
|
['CC(C)(C)OC(=O)N1CCC(I)C1']
|
20
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(=O)CCC(=O)O.COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl>CC(=O)O>COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1']
|
['COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1>ClCCl.BrB(Br)Br>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1']
|
['COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1']
|
21
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.c1ccc(CN2CCNCC2)cc1>CN(C)c1ccncc1.ClCCl.CCN(CC)CC.ClCCCl>CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1']
|
['CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1>C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1']
|
['CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1']
|
22
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CCc1c[nH]c(CCc2ccc(F)cc2)nc1=O.CC(C)(C)OC(=O)CI>ClCCl.CCN(C(C)C)C(C)C>CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O']
|
['CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O>O=C(O)C(F)(F)F>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O']
|
['CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O']
|
23
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.CCN>>CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]']
|
['CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]>Cl>CCNc1cc(N)ccc1[N+](=O)[O-]']
|
['CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]']
|
24
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['C[C@H](SC(=O)Oc1ccccc1)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C.CCC(O)(CC)CCBr>CO.C1CCOC1.[K+].[OH-]>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C']
|
['CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C']
|
['CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C']
|
25
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1.Cl>CCO>Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1']
|
['Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1.O=C(OC(=O)C(F)(F)F)C(F)(F)F>CC#N.CCN(CC)CC>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1']
|
['Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1']
|
26
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1>CN(C)c1ccncc1.ClCCl.O.CO.c1ccncc1.O=C([O-])O.[Na+]>CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1']
|
['Cl.CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1>CO>CC(=O)NCc1ccccc1N1CCNCC1.Cl']
|
['CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1']
|
27
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cn1nc(Cl)cc(Br)c1=O.OB(O)C=Cc1ccccc1>C1COCCO1.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]>Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O']
|
['Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O.[Na+].[O-][I+3]([O-])([O-])[O-]>C1COCCO1.O.O=[Os](=O)(=O)=O.Cc1cccc(C)n1>Cn1nc(Cl)cc(C=O)c1=O']
|
['Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O']
|
28
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.O=S([O-])OO.[K+]>O.CC(C)O>CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2']
|
['CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2>CC(C)=O.Cl>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1']
|
['CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2']
|
29
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COC(=O)c1cc(C)nc(Cl)c1.CC(N)=O>O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.C1COCCO1.O=P([O-])([O-])[O-].[K+].[K+].[K+]>COC(=O)c1cc(C)nc(NC(C)=O)c1']
|
['COC(=O)c1cc(C)nc(NC(C)=O)c1>C1CCOC1.[Na+].[OH-].Cl>CC(=O)Nc1cc(C(=O)O)cc(C)n1']
|
['COC(=O)c1cc(C)nc(NC(C)=O)c1']
|
30
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COC(=O)C=CN1CCCC1.O=C(Cl)c1cc(F)c(Cl)cc1Cl>C1COCCO1.CCN(CC)CC>COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl']
|
['COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl.NC1CC1>Cc1ccccc1>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl']
|
['COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl']
|
31
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1>CCO.C1CCOC1.[Pd].O=CO>C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1']
|
['CC(C)OC(=O)N1CCC(n2ncc(CO)c2C#N)CC1.C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1>C1COCCO1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.CCOC(=O)N=NC(=O)OCC>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1']
|
['C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1']
|
32
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['OC1CCNCC1.Clc1ccccc1CBr>CN(C)C=O.CCN(CC)CC>OC1CCN(Cc2ccccc2Cl)CC1']
|
['OC1CCN(Cc2ccccc2Cl)CC1.Cc1ccc(C(=O)Cl)cc1>Cc1ccccc1.CCN(CC)CC>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1']
|
['OC1CCN(Cc2ccccc2Cl)CC1']
|
33
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['II.CC(C)(C)[Si](C)(C)OCCCCCO>CC#N.Cc1ccccc1.c1c[nH]cn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=S([O-])[O-].[Na+].[Na+]>CC(C)(C)[Si](C)(C)OCCCCCI']
|
['O=C1Nc2cc(I)cc(Br)c2C1=O.CC(C)(C)[Si](C)(C)OCCCCCI>O.[H-].[Na+].O=S(=O)([O-])O.[K+]>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21']
|
['CC(C)(C)[Si](C)(C)OCCCCCI']
|
34
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4>Cl>N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314']
|
['N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314.[K+].[OH-]>CC(C)(C)O>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314']
|
['N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314']
|
35
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1>C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>CN1CCC(n2cc(N)cn2)CC1']
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['COCCOc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])cc1.CN1CCC(n2cc(N)cn2)CC1>C1COCCO1.CCN(C(C)C)C(C)C>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1']
|
['CN1CCC(n2cc(N)cn2)CC1']
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36
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>ClCCl.c1ccncc1>COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1']
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['COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1.OB(O)c1ccc2[nH]ccc2c1>C1COCCO1.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=P([O-])([O-])[O-].[K+].[K+].[K+].O>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1']
|
['COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1']
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37
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['CC(=O)NCCc1ccccc1Cl>O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>CC1=NCCc2c(Cl)cccc21']
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['CC1=NCCc2c(Cl)cccc21>CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC1NCCc2c(Cl)cccc21']
|
['CC1=NCCc2c(Cl)cccc21']
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38
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['N#CCC(=O)c1cc(C(F)(F)F)ccc1Cl.CCOC(CN)OCC>Cc1ccccc1>CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC']
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['CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC>O=C(O)C(F)(F)F>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl']
|
['CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC']
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39
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['Cc1ccccc1N.N#C[S-].[NH4+]>Cc1ccccc1Cl.Cl>Cc1ccccc1NC(N)=S']
|
['Cc1ccccc1NC(N)=S.CCOC(=O)C1(Br)CCC1>>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1']
|
['Cc1ccccc1NC(N)=S']
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40
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['O=C(O)C(Br)c1ccccc1.NC(N)=S>CCO>N=C1NC(=O)C(c2ccccc2)S1']
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['N=C1NC(=O)C(c2ccccc2)S1.[Ba+2].[OH-].[OH-]>CCO>O=C(O)C(S)c1ccccc1']
|
['N=C1NC(=O)C(c2ccccc2)S1']
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41
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CN(C)c1ccc(C=O)cc1.CCCc1ccc(N)cc1>>CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1']
|
['CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1.CC(C)c1cccc(C(C)C)c1N=C=O>>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1']
|
['CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1']
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42
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21>CCO.C1CCOC1.O=[Pt]=O>Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21']
|
['Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21.CC(=O)Cl>C1CCOC1.CCN(CC)CC>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O']
|
['Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21']
|
43
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['N#Cc1cnc2c(c1)CCCC2O>CCN(CC)CC>N#Cc1cnc2c(c1)CCCC2=O']
|
['CC1(C)OCC(=S)N[C@](C)(c2cc(N)ccc2F)C1(F)F.N#Cc1cnc2c(c1)CCCC2=O>>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F']
|
['N#Cc1cnc2c(c1)CCCC2=O']
|
44
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1>CCO.[Pd].C1CCOC1.[H][H]>Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1']
|
['Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C>ClCCl.CN(C)c1ccncc1>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1']
|
['Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1']
|
45
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['C[C@H](NC(=O)OC(C)(C)C)C(N)=S.O=CC(Cl)C=O>C1COCCO1.O=C([O-])[O-].[Mg+2]>CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1']
|
['CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1.O.O.O=P([O-])(O)O.[Na+]>CC(C)(C)O.O.CC=C(C)C.[Na+].[O-][Cl+][O-]>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1']
|
['CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1']
|
46
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1cc(Br)c(O)cc1OCc1ccccc1.CI>O.[H-].[Na+]>COc1cc(OCc2ccccc2)c(OC)cc1Br']
|
['COc1cc(OCc2ccccc2)c(OC)cc1Br.CC(C)OB(OC(C)C)OC(C)C>>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1']
|
['COc1cc(OCc2ccccc2)c(OC)cc1Br']
|
47
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Nc1cc(F)cc2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Cl>c1ccncc1>O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12']
|
['O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12>Cl.CCO.Cl[Sn]Cl>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12']
|
['O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12']
|
48
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Oc1ccccc1OCc1ccccc1.CCOC(=O)C=C(C)Cl>C1CCOC1.CC(C)(C)[O-].[K+]>CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1']
|
['CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1.O=C1CCC(=O)N1Br>ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1>CCOC(=O)/C=C(\\CBr)Oc1ccccc1OCc1ccccc1']
|
['CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1']
|
49
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1cc(C#N)ccc1F>[Pd].CC(=O)O.[H][H]>COc1cc(CN)ccc1F']
|
['Cn1nc(C(=O)O)cc(C2=NOC(c3ccccc3)C2)c1=O.COc1cc(CN)ccc1F>CN(C)C=O.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F']
|
['COc1cc(CN)ccc1F']
|
50
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['BrBr.N#Cc1cc(CO)ccn1>ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>N#Cc1cc(CBr)ccn1']
|
['O=C1Nc2c(F)ccc(Br)c2C1(F)F.N#Cc1cc(CBr)ccn1>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1']
|
['N#Cc1cc(CBr)ccn1']
|
51
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1.CCOC=O>CCN(CC)CC>O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1']
|
['O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1>CC(=O)O.[Zn]>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1']
|
['O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1']
|
52
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CNC(=O)CCl.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21']
|
['CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21>ClCCl.O=C(O)C(F)(F)F>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21']
|
['CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21']
|
53
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Nc1cccnc1.O=[N+]([O-])c1ccc(F)cc1F>C1CCOC1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1']
|
['O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1>CCOC(C)=O>Nc1ccc(F)cc1Nc1cccnc1']
|
['O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1']
|
54
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1cccc(C(=O)O)c1Cl>CC(=O)O.Br>O=C(O)c1cccc(O)c1Cl']
|
['O=C(O)c1cccc(O)c1Cl.NCC12CC3CC(CC(C3)C1)C2>On1nnc2ccccc21.C(=NC1CCCCC1)=NC1CCCCC1>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl']
|
['O=C(O)c1cccc(O)c1Cl']
|
55
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1>CO.[Na+].[OH-]>Cc1c[nH]c2ncc(Br)cc12']
|
['Cc1c[nH]c2ncc(Br)cc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C>CN(C)C=O.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)[O-].[K+]>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12']
|
['Cc1c[nH]c2ncc(Br)cc12']
|
56
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C>ClCCl.O=C(O)C(F)(F)F>Cn1cc2c(n1)CCCN2']
|
['CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cn1cc2c(n1)CCCN2>C1COCCO1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+]>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C']
|
['Cn1cc2c(n1)CCCN2']
|
57
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C)c1ccnc2[nH]nc(N)c12>COCC(C)O.O=P([O-])([O-])[O-].[K+].[K+].[K+]>CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12']
|
['CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12.Cl>CO.C1COCCO1>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl']
|
['CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12']
|
58
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['NC(=O)CCC(N)=O.CC(Br)Br>CCC(C)=O.O=C([O-])[O-].[K+].[K+]>O=C1CCC(=O)N1CCBr']
|
['CN(C)CCNS(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1.O=C1CCC(=O)N1CCBr>CN(C)C=O.[H-].[Na+]>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1']
|
['O=C1CCC(=O)N1CCBr']
|
59
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(=O)c1ccc(F)cc1.C=O.CNC.Cl>CC(C)O.Cl>CN(C)CCC(=O)c1ccc(F)cc1.Cl']
|
['OC1CNCC1Oc1ccccc1.CN(C)CCC(=O)c1ccc(F)cc1.Cl>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1']
|
['CN(C)CCC(=O)c1ccc(F)cc1.Cl']
|
60
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC(C)(C)OC(=O)N1CC(=CC#N)C1>CC#N.C1CCC2=NCCCN2CC1>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1']
|
['Brc1ccnc2[nH]ccc12.CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1>C1COCCO1.O.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1']
|
['CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1']
|
61
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['[In].C=CCBr.CCOC(O)C(F)(F)F>O>C=CCC(O)C(F)(F)F']
|
['C=CCC(O)C(F)(F)F.C=C(CBr)C(=O)OCC>CN(C)C=O.[H-].[Na+]>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F']
|
['C=CCC(O)C(F)(F)F']
|
62
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC1(C)Cc2ccccc2O1.O=C1CCC(=O)N1Br>CC(Cl)Cl.CCOCC>CC1(C)Cc2cc(Br)ccc2O1']
|
['CC1(C)Cc2cc(Br)ccc2O1.[Mg].O=C1CCC2(CC1)OCCO2>C1CCOC1>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1']
|
['CC1(C)Cc2cc(Br)ccc2O1']
|
63
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Nc1cccc(C(=O)O)c1>CCO.[Pd].[H][H]>NC1CCCC(C(=O)O)C1']
|
['NC1CCCC(C(=O)O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C>O.CCN(C(C)C)C(C)C.C1CCOC1>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1']
|
['NC1CCCC(C(=O)O)C1']
|
64
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CCOC(C)=C(C#N)C#N.Cl.Cl.NNC1CCCCC1>CCO.CCN(CC)CC>Cc1nn(C2CCCCC2)c(N)c1C#N']
|
['O=S(=O)(O)O.Cc1nn(C2CCCCC2)c(N)c1C#N>CC(=O)O>Cc1nn(C2CCCCC2)c(N)c1C(N)=O']
|
['Cc1nn(C2CCCCC2)c(N)c1C#N']
|
65
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COc1cc2nc[nH]c2cc1OC.CCOC(=O)c1sc(Cl)nc1-c1ccccc1>CN1CCCC1=O.[H-].[Na+].O>CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1']
|
['CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1>C1CCOC1.[Na+].[OH-].O>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC']
|
['CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1']
|
66
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC(Cl)C(=O)Cl.O=C1Nc2cccnc2Nc2ccccc21>C1COCCO1>CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21']
|
['CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21.CN1CCNCC1>>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1']
|
['CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21']
|
67
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Oc1ccc2c(c1)OCCO2.Nc1cccc(Nc2cc(Cl)ncn2)n1>CN1CCCC1=O.[Cu]I.O=C([O-])[O-].[Cs+].[Cs+].O>Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1']
|
['Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1.C=CC(=O)Cl>CN1CCCC1=O.O.CCN(CC)CC.O=C([O-])[O-].[K+].[K+].O=C([O-])O.[Na+]>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1']
|
['Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1']
|
68
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1>CO.[C].[Pd].CN1CCCC1=O>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1']
|
['N#C[S-].[K+].Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1>CC(=O)O.BrBr>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1']
|
['Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1']
|
69
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CNc1ccc(C(F)(F)F)cc1N.O=Cc1ccncc1F>CN(C)C=O.O=S([O-])O.[Na+].[Cl-].[NH4+]>Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21']
|
['Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21.C[O-].[Na+]>CN(C)C=O.[Cl-].[NH4+]>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C']
|
['Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21']
|
70
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['COC(=O)CCCCBr.C[O-].[Na+]>CO>COCCCCC(=O)OC']
|
['COCCCCC(=O)OC>CO.[K+].[OH-].O>COCCCCC(=O)O']
|
['COCCCCC(=O)OC']
|
71
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1>NC1CCCC1>Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1']
|
['Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.CSc1nccc(I)n1>Cc1ccccc1.CN(C)C=O>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1']
|
['Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1']
|
72
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cc1ccc[n+]([O-])c1.[C-]#N.[Na+]>ClCCl.O.CCI>Cc1cnccc1C#N']
|
['Cc1cnccc1C#N.Cl.NO>CCO.O=C([O-])[O-].[Na+].[Na+]>Cc1cnccc1C(=N)NO']
|
['Cc1cnccc1C#N']
|
73
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=Cc1cc(Br)ccc1OCc1ccccc1.CCOC(=O)c1ccc(CN)cc1>CCO.O.[BH4-].[Na+].CC(=O)O>CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1']
|
['CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1.CCI>CN(C)C=O.O.[H-].[Na+].CC(=O)O>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1']
|
['CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1']
|
74
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['Cc1cccc(C)c1N.O=C(Cl)CCl>CCOC(C)=O.O=C([O-])[O-].[Na+].[Na+]>Cc1cccc(C)c1NC(=O)CCl']
|
['Cc1cccc(C)c1NC(=O)CCl.CN>>CNCC(=O)Nc1c(C)cccc1C']
|
['Cc1cccc(C)c1NC(=O)CCl']
|
75
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['CC1(C)CN=C(Cc2ccccc2)NC1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1F>CC#N.O=C([O-])[O-].[K+].[K+]>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1']
|
['CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl>CCO>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl']
|
['CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1']
|
76
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
|
['O=C(O)C1CN(Cc2ccccc2)CCO1.NCC(=O)c1ccc(Cl)cc1>ClCCl.O.CN(C)C=O.O=C(Cl)C(=O)Cl.CCN(CC)CC>O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1']
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['O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1.O=C([O-])C(F)(F)F.[NH4+]>ClCCl.O>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1']
|
['O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1']
|
77
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
No explanations and other information. Only return the SMILES of x.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>.
|
Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>.
The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>.
In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>.
Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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['CC(C)CCC1(O)C(=O)CC(=O)c2ccccc21.CCOCC.FB(F)F>CO>COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21']
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['COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21.CI>CN(C)C=O.[H-].[Na+]>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21']
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['COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21']
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End of preview.
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