Methanol → Isooctanoic acid, methyl ester
반응식
[C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([CH3:14])[CH3:15])(=[O:16])[OH:17].[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:6][OH:7].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[CH3:6][O:16][C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([CH3:14])[CH3:15])=[O:17]참가 물질
5
출처 및 근거
- ORD 기록
- ord-9ec729f0c69b44b7b1ed8127d3d56a58
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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