Methanol → 4-(2,3,4-Trimethoxyphenyl)-4-oxobutyric acid
반응식
[CH3:24][OH:25].[CH3:3][O:4][C:5]([CH2:6][CH2:7][C:8]([c:9]1[c:10]([O:19][CH3:20])[c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][cH:14]1)=[O:21])=[O:22].[Na+:2].[OH-:1].[OH2:23]>>[O:4]=[C:5]([CH2:6][CH2:7][C:8]([c:9]1[c:10]([O:19][CH3:20])[c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][cH:14]1)=[O:21])[OH:22]참가 물질
6
출처 및 근거
- ORD 기록
- ord-f3f76548b0be43c1bae46212e92d4654
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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