Acetone → 4-(4-Methoxyphenyl)butane-1,2-diol
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[C:23](=[O:24])([OH:25])[O-:26].[CH3:19][C:20](=[O:21])[CH3:22].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH:11]2[O:12][CH2:13]2)[cH:7][cH:8]1.[Na+:27].[OH2:28].[S:14]([OH:15])(=[O:16])(=[O:17])[OH:18]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH:11]([CH2:13][OH:12])[OH:15])[cH:7][cH:8]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-e4ffc0a874f94a6db1129e81a5c8b173
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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