Ethanol → 4-Penten-1-one, 1-phenyl-
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[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[CH2:9][C:10]([O:11][CH2:12][CH3:13])=[O:14].[C:26](=[O:27])([OH:28])[O-:29].[CH2:19]([Br:20])[CH:21]=[CH2:22].[CH3:16][CH2:17][O-:18].[CH3:23][CH2:24][OH:25].[Na+:15].[Na+:30]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[CH2:9][CH2:10][CH:16]=[CH2:17]참가 물질
7
출처 및 근거
- ORD 기록
- ord-bbd15fabd3ad400692cf31e4bb0badf8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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