Ethanol → 2-(4-Fluorophenyl)-2-methylbutyl alcohol
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[Al+3:16].[CH3:21][CH2:22][OH:23].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[OH:11])([CH2:12][CH3:13])[CH3:14])[cH:6][cH:7]1.[H-:15].[H-:18].[H-:19].[H-:20].[Li+:17].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[OH2:24]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][OH:10])([CH2:12][CH3:13])[CH3:14])[cH:6][cH:7]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-bfd75bcd10384ae4ac482c935d6e5391
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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