Water → (2-(Cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)phenyl)methanol
반응식
[CH2:30]([N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][O:11][Si:12]([C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:17])[CH3:18])[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[O:27][CH3:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F-:29].[OH2:47]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][OH:11])[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[O:27][CH3:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-1be676119960451880717f11f0d6a20a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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