Ethanol → 2-(2-(trans-4-(2,3-Difluoro-4-ethoxyphenyl)-cyclohexyl)-ethyl)-1,3-dioxane
반응식
[CH2:26]([OH:27])[CH3:28].[F:1][c:2]1[c:3]([CH:12]2[CH2:13][CH2:14][C:15](=[CH:18][CH2:19][CH:20]3[O:21][CH2:22][CH2:23][CH2:24][O:25]3)[CH2:16][CH2:17]2)[cH:4][cH:5][c:6]([O:9][CH2:10][CH3:11])[c:7]1[F:8].[c:29]1([CH3:30])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[F:1][c:2]1[c:3]([CH:12]2[CH2:13][CH2:14][CH:15]([CH2:18][CH2:19][CH:20]3[O:21][CH2:22][CH2:23][CH2:24][O:25]3)[CH2:16][CH2:17]2)[cH:4][cH:5][c:6]([O:9][CH2:10][CH3:11])[c:7]1[F:8]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3ea4140c2f004bbfa49fd5981bf5354e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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