Methanol → Damascenone
반응식
[CH3:12][C:13]#[CH:14].[CH3:15][C:16]1=[C:17]([C:24]([C:25]#[C:26][CH3:27])=[O:28])[C:18]([CH3:22])([CH3:23])[CH2:19][CH:20]=[CH:21]1.[CH3:1][C:2](=[CH:3][CH2:4][CH2:5][C:6](=[CH:7][CH:8]=[O:9])[CH3:10])[CH3:11].[CH3:32][OH:33].[O:29]=[Mn:30]=[O:31]>>[CH3:15][C:16]1=[C:17]([C:24]([CH:25]=[CH:26][CH3:27])=[O:28])[C:18]([CH3:22])([CH3:23])[CH2:19][CH:20]=[CH:21]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-82b15bae97c04f8fa0a03a2765ffa3de
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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