Dimethyl Sulfoxide → 2-(4-Fluoro-2-nitro-phenylamino)-5-isopropyl-benzonitrile
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[CH3:28][S:29]([CH3:30])=[O:31].[F:13][c:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][c:17]([F:20])[cH:18][cH:19]1.[Li+:26].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1.[OH-:25].[OH2:24].[OH2:27]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1)[c:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][c:17]([F:20])[cH:18][cH:19]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-b851a3c666204a2294782d1fcac97533
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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