Acetone → Methyl 3-(4-formyl-3,5-dimethylphenyl)-2,2-dimethylpropanoate
반응식
[CH3:1][O:2][C:3]([C:4]([CH2:5][c:6]1[cH:7][c:8]([CH3:18])[c:9]([CH:13]2[O:14][CH2:17][CH2:16][O:15]2)[c:10]([CH3:12])[cH:11]1)([CH3:19])[CH3:20])=[O:21].[CH3:22][C:23](=[O:24])[CH3:25].[OH2:26]>>[CH3:1][O:2][C:3]([C:4]([CH2:5][c:6]1[cH:7][c:8]([CH3:18])[c:9]([CH:13]=[O:14])[c:10]([CH3:12])[cH:11]1)([CH3:19])[CH3:20])=[O:21]참가 물질
4
출처 및 근거
- ORD 기록
- ord-b769076539e5416ebf2244183efe591f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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