Water → Cyclohexanone, 3-[4-(trifluoromethyl)phenyl]-
반응식
[C:1]1(=[O:7])[CH:2]=[CH:3][CH2:4][CH2:5][CH2:6]1.[F:8][C:9]([c:10]1[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]1)([F:19])[F:20].[O:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[OH2:27]>>[C:1]1(=[O:7])[CH2:2][CH:3]([c:13]2[cH:12][cH:11][c:10]([C:9]([F:8])([F:19])[F:20])[cH:15][cH:14]2)[CH2:4][CH2:5][CH2:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-5d9c5052c8c344739fe77f8cb0644e23
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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