2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile → 5-[2-Cyano-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]thiophene-2-carboxamide
반응식
[F:11][C:12]([c:13]1[cH:14][c:15]([CH2:16][S:17](=[O:18])(=[O:19])[CH2:20][C:21]#[N:22])[cH:23][cH:24][cH:25]1)([F:26])[F:27].[NH2:1][C:2](=[O:3])[c:4]1[s:5][c:6]([CH:9]=[O:10])[cH:7][cH:8]1>>[NH2:1][C:2](=[O:3])[c:4]1[s:5][c:6]([CH:9]=[C:20]([S:17]([CH2:16][c:15]2[cH:14][c:13]([C:12]([F:11])([F:26])[F:27])[cH:25][cH:24][cH:23]2)(=[O:18])=[O:19])[C:21]#[N:22])[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-978e46f7b89c43289d873b0e22a0c6d5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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