Water → 4-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal
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[Al+3:25].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[F:1][c:2]1[c:3]([O:22][CH3:23])[c:4]([CH:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([C:16]([F:17])([F:18])[F:19])[OH:20])[CH3:21])[cH:5][cH:6][cH:7]1.[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26].[OH2:36]>>[F:1][c:2]1[c:3]([O:22][CH3:23])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:16]([F:17])([F:18])[F:19])[OH:20])[CH3:21])[cH:5][cH:6][cH:7]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-37bef586252942fe991b26447ac2a0fb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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