Ethanol → 4-(4-Methoxyphenyl)-4-oxo-3-phenylbutanoic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH3:27][CH2:28][OH:29].[Na+:26].[OH-:25].[OH2:24]>>[O:3]=[C:4]([CH2:5][CH:6]([C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[OH:23]참가 물질
6
출처 및 근거
- ORD 기록
- ord-b0ece39746314c63921d0d5f3658d41b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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