Water → 2-(2,3-Difluorophenyl)-2-methylpropanoic acid
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[F:1][c:2]1[c:3]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:4][cH:5][cH:6][c:7]1[F:8].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[OH2:14].[S:15]([OH:16])(=[O:17])(=[O:18])[OH:19]>>[F:1][c:2]1[c:3]([C:9]([C:10](=[O:14])[OH:16])([CH3:12])[CH3:13])[cH:4][cH:5][cH:6][c:7]1[F:8]참가 물질
5
출처 및 근거
- ORD 기록
- ord-c940ac27c524424ea5bb846857b5e536
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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