Sodium Ion → 4-(4-Chlorophenyl)-4-(hydroxymethyl)cyclohexan-1-one
반응식
[Al+3:24].[C:1](=[O:2])([OH:3])[C:4]1([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:5][CH2:6][C:7](=[O:10])[CH2:8][CH2:9]1.[H-:23].[H-:26].[H-:27].[H-:28].[Li+:25].[Na+:30].[O:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1.[OH-:29].[OH2:31]>>[CH2:1]([OH:2])[C:4]1([c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:5][CH2:6][C:7](=[O:10])[CH2:8][CH2:9]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-53aa2ab62081451e92acebca4c788d85
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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