Water → 3-bromo-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
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[Br:5][CH2:6][C:7]([C:8](=[O:9])[OH:10])([CH3:11])[OH:12].[CH3:13][c:14]1[cH:15][c:16]([NH2:17])[cH:18][cH:19][c:20]1[N+:21](=[O:22])[O-:23].[OH2:24].[S:1]([Cl:2])([Cl:3])=[O:4]>>[Br:5][CH2:6][C:7]([C:8](=[O:9])[NH:17][c:16]1[cH:15][c:14]([CH3:13])[c:20]([N+:21](=[O:22])[O-:23])[cH:19][cH:18]1)([CH3:11])[OH:12]참가 물질
5
출처 및 근거
- ORD 기록
- ord-de33f69a158f485c85e7213fdd3fb0ff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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