Benzene → Benzyl 2-hydroxy-4-methylpentanoate
반응식
[OH2:18].[OH:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[OH:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH:7]([CH3:8])[CH3:9].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[OH:1][CH:2]([C:3](=[O:4])[O:5][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:6][CH:7]([CH3:8])[CH3:9]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6c6e1a46bfbd4e2ca6b95948a8d14edf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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