Hexanoate → 2-(3'-Chlorophenyl)-5,5-dimethyl-1,3-cyclohexanedione
반응식
[CH3:23][CH2:24][CH2:25][CH2:26][CH2:27][C:28](=[O:29])[O-:30].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([C:9]([CH2:10][C:11]([CH2:12][C:13]([O:15][CH2:17][CH3:21])=[O:22])([CH3:18])[CH3:19])=[O:20])[C:14]#[N:16])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9](=[O:20])[CH2:10][C:11]([CH3:18])([CH3:19])[CH2:12][C:13]2=[O:15])[cH:5][cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-86a5c4763b774f8996f3b078b92d846e
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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