Phosphorus oxychloride → 3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile
반응식
[F:1][c:2]1[c:3]([C:9]([CH:10]([C:11](=[O:12])[NH2:13])[CH3:14])([CH2:15][n:16]2[n:17][cH:18][n:19][cH:20]2)[OH:21])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[P:22]([Cl:23])([Cl:24])([Cl:25])=[O:26]>>[F:1][c:2]1[c:3]([C:9]([CH:10]([C:11]#[N:13])[CH3:14])([CH2:15][n:16]2[n:17][cH:18][n:19][cH:20]2)[OH:21])[cH:4][c:5]([F:8])[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-c21010c5bd634c5aad8eb02e43039771
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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