Water → 1-(4-Chlorophenyl)-2,2-dimethylpropan-1-one
반응식
[CH3:1][C:2]([C:3]#[N:4])([CH3:5])[CH3:6].[Cl:7][c:8]1[cH:9][cH:10][c:11]([I:14])[cH:12][cH:13]1.[Mg:15].[Na:26].[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1.[OH2:27].[S:16]([OH:17])(=[O:18])(=[O:19])[OH:20]>>[CH3:1][C:2]([C:3]([c:11]1[cH:10][cH:9][c:8]([Cl:7])[cH:13][cH:12]1)=[O:17])([CH3:5])[CH3:6]참가 물질
8
출처 및 근거
- ORD 기록
- ord-8fbbc68ef3ec46c190b26ad725af2c65
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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