Ethanol → 3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
반응식
[CH3:29][CH2:30][OH:31].[F:1][c:2]1[cH:3][cH:4][c:5]([SH:6])[cH:7][cH:8]1.[H-:9].[K+:28].[Na+:10].[OH-:27].[OH:11][C:12]([C:13](=[O:14])[O:15][CH3:16])([CH2:17][S:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[CH3:26]>>[OH:11][C:12]([C:13](=[O:14])[OH:15])([CH2:17][S:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[CH3:26]참가 물질
8
출처 및 근거
- ORD 기록
- ord-be282c5e135e47adaac577dc2ae73e69
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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