Acetone → (4-Formyl-3,5-dimethyl-phenoxy)-acetonitrile
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[C:16](=[O:17])([O-:18])[O-:19].[CH3:22][C:23](=[O:24])[CH3:25].[Cl:12][CH2:13][C:14]#[N:15].[Cs+:20].[Cs+:21].[OH:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([CH:6]=[O:7])[c:8]([CH3:10])[cH:9]1>>[O:1]([c:2]1[cH:3][c:4]([CH3:11])[c:5]([CH:6]=[O:7])[c:8]([CH3:10])[cH:9]1)[CH2:13][C:14]#[N:15]참가 물질
6
출처 및 근거
- ORD 기록
- ord-642f9afb0df1469b882d476360c75693
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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