Water → 3-Oxo-3-(4-propyl-cyclohexyl)-propionic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])[C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH2:19][CH2:20][CH3:21])[CH2:17][CH2:18]1)=[O:22].[OH2:34].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH2:19][CH2:20][CH3:21])[CH2:17][CH2:18]1)=[O:22]참가 물질
4
출처 및 근거
- ORD 기록
- ord-9954c8e983c440a79ea8f8860abd848f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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