Acetonitrile → 3-(3-Fluoro-4-hydroxyphenyl)-1-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)prop-2-en-1-one
반응식
[CH3:29][C:30]#[N:31].[F:19][c:20]1[cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26][c:27]1[OH:28].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:14]([CH3:15])=[O:16])[s:13]2)[cH:7][cH:8]1)([F:17])[F:18]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:14]([CH:15]=[CH:23][c:22]3[cH:21][c:20]([F:19])[c:27]([OH:28])[cH:26][cH:25]3)=[O:16])[s:13]2)[cH:7][cH:8]1)([F:17])[F:18]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3c1d1da71b584db99a331a3db212b1d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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