Methyl Acetate → Acetic Acid
반응식
[CH2:6]([CH3:7])[C:8]([CH2:9][CH3:10])([c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][CH2:18][CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[OH:24])[cH:15][cH:16]1)[c:26]1[cH:27][c:28]([CH3:35])[c:29]([S:31](=[O:32])(=[O:33])[NH2:34])[s:30]1.[CH3:1][O:2][C:3]([CH3:4])=[O:5].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[CH2:6]([CH3:7])[C:8]([CH2:9][CH3:10])([c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][CH2:18][CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[OH:24])[cH:15][cH:16]1)[c:26]1[cH:27][c:28]([CH3:35])[c:29]([S:31](=[O:32])(=[O:33])[NH2:34])[s:30]1.[O:2]=[C:3]([CH3:4])[OH:5]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ae7f81ec44ca4c5b8ec623331bf90cd0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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