Water → 3,4-Difluoro-5-formylbenzonitrile
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[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([F:10])[c:6]([CH:7]=[O:8])[cH:9]1.[CH3:17][CH2:18][O:19][C:20](=[O:21])[CH3:22].[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[Cu:12]([C:13]#[N:14])[C:15]#[N:16].[OH2:23]>>[c:2]1([C:13]#[N:14])[cH:3][c:4]([F:11])[c:5]([F:10])[c:6]([CH:7]=[O:8])[cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-816630fb0b654c06aef96a34df1b5fda
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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