Sodium Ion → 4-Bromo-3-methyl-5-nitroaniline
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[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][c:10]([CH3:18])[c:11]([Br:17])[c:12]([N+:14](=[O:15])[O-:16])[cH:13]1)([CH3:5])([CH3:6])[CH3:19].[Cl:29][CH2:30][Cl:31].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[Na+:28].[OH-:27]>>[NH2:7][c:8]1[cH:9][c:10]([CH3:18])[c:11]([Br:17])[c:12]([N+:14](=[O:15])[O-:16])[cH:13]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-d215c2ca81f04f0ba34374cf71babcc7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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