1-Isopropenyl-4-(methylsulfonyl)-2-nitrobenzene → 2-Isopropenyl-5-(methylsulfonyl)aniline
반응식
[C:15](=[CH2:16])([CH3:17])[c:18]1[c:19]([N+:28]([O-:29])=[O:30])[cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]1.[CH3:1][S:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][CH3:9])[c:10]([NH2:12])[cH:11]1)(=[O:13])=[O:14]>>[C:15](=[CH2:16])([CH3:17])[c:18]1[c:19]([NH2:28])[cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-406daed56c2b4e4089958c20339b32cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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