Acetic Acid → 3-(2-Ethyl-4-formyl-6-methylphenyl)propionic acid
반응식
[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[c:5]([CH3:11])[cH:6][c:7]([CH2:9][OH:10])[cH:8]1.[CH3:17][C:18](=[O:19])[OH:20].[O:21]=[Mn:22]=[O:23]>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[c:5]([CH3:11])[cH:6][c:7]([CH:9]=[O:10])[cH:8]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-1a652654cf3b482d9e7a35342f94e4c4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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