1,2,3-Trimethoxybenzene → 6-Oxo-6-(2,3,4-trimethoxy-phenyl)-hexanoic acid methyl ester
반응식
[C:13]([CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O-:20])(=[O:21])[O:22][CH3:23].[CH3:1][O:2][c:3]1[c:4]([O:11][CH3:12])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[c:4]([O:11][CH3:12])[c:5]([O:9][CH3:10])[c:6]([C:18]([CH2:17][CH2:16][CH2:15][CH2:14][C:13](=[O:21])[O:22][CH3:23])=[O:19])[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-5b1632466c44463d89afbb346eb57551
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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