Methanol → 3-Hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-4-methylpentanoic acid
반응식
[CH3:1][O:2][C:3]([CH2:4][C:5]([CH:6]([CH3:7])[CH3:8])([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[OH:18])=[O:19].[CH3:22][OH:23].[Li+:20].[OH-:21].[OH2:24]>>[O:2]=[C:3]([CH2:4][C:5]([CH:6]([CH3:7])[CH3:8])([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[OH:18])[OH:19]참가 물질
6
출처 및 근거
- ORD 기록
- ord-1ed2f15e0bab4701b6bd2fac8d2a757d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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