Chloride → 1-(4-(2-Methylpropyl)phenyl)-1-propanone
반응식
[Al+3:16].[C:10]([Cl:11])(=[O:12])[CH2:13][CH3:14].[CH2:31]([Cl:32])[Cl:33].[CH3:19][CH:20]([CH3:21])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:5][CH2:6][C:7]([OH:8])=[O:9].[Cl-:15].[Cl-:17].[Cl-:18].[Cl:1][P:2]([Cl:3])[Cl:4].[ClH:29].[OH2:30]>>[CH3:5][CH2:6][C:7](=[O:9])[c:26]1[cH:25][cH:24][c:23]([CH2:22][CH:20]([CH3:19])[CH3:21])[cH:28][cH:27]1참가 물질
10
출처 및 근거
- ORD 기록
- ord-c23c05151c194c219663e12531050ed3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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