Acetone → 2-(4-Chloro-2,6-dimethylphenoxy)acetonitrile
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[Br:11][CH2:12][C:13]#[N:14].[C:15](=[O:16])([O-:17])[O-:18].[CH3:21][C:22](=[O:23])[CH3:24].[Cl:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([OH:9])[c:6]([CH3:8])[cH:7]1.[K+:19].[K+:20]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([O:9][CH2:12][C:13]#[N:14])[c:6]([CH3:8])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-2584222932a348b38d3d28828838f43a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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