Sodium Ion → 4-(Benzylthio)-2-nitroaniline
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[BH4-:14].[CH3:16][S:17]([O:18][CH2:19][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:20])=[O:21].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Na+:15].[S:1]([C:2]#[N:3])[c:4]1[cH:5][c:6]([N+:11](=[O:12])[O-:13])[c:7]([NH2:8])[cH:9][cH:10]1>>[S:1]([CH2:2][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:4]1[cH:5][c:6]([N+:11](=[O:12])[O-:13])[c:7]([NH2:8])[cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-6bf8a731bf384b2288dc9440ce5b62c3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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