Chloride → 1-(4-(2-Methylpropyl)phenyl)-1-propanone
반응식
[Al+3:4].[C:15]([CH2:16][CH3:17])(=[O:18])[Cl:19].[CH2:20]([Cl:21])[Cl:22].[CH3:5][CH:6]([CH3:7])[CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[Cl-:1].[Cl-:2].[Cl-:3]>>[CH3:5][CH:6]([CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][CH3:17])=[O:18])[cH:13][cH:14]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4ead7093cf9c4642b6ec95d879bbef88
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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