Water → 3-(4-Propan-2-ylphenyl)prop-2-en-1-ol
반응식
[Al+3:18].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:8][cH:9]1.[H-:17].[H-:20].[H-:21].[H-:22].[Li+:19].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:23]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][CH2:12][OH:13])[cH:8][cH:9]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-4a543a9d36f04c49b2bb68951a1960f5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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