Dimethyl Sulfoxide → [5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([Cl:14])[cH:13]1)=[O:22].[CH3:23][NH:24][CH2:25][CH2:26][CH3:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][S:36]([CH3:37])=[O:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([N:24]([CH3:23])[CH2:25][CH2:26][CH3:27])[cH:13]1)=[O:22]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ce65fa08d6894a6c8a6486b4539b451d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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