Acetone → 2-(Methylthio)-4-(trifluoromethyl)benzonitrile
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[CH3:19][C:20](=[O:21])[CH3:22].[CH3:1][S-:2].[N+:4]([O-:5])(=[O:6])[c:7]1[c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1.[Na+:3]>>[CH3:1][S:2][c:7]1[c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-36ffffbdfe374f20ade4aed26ed90464
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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