Sodium Ion → 2-Bromo-4-methylbenzonitrile
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[B-:10]([F:11])([F:12])([F:13])[F:14].[Br:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([CH3:9])[cH:8]1.[C-:25]#[N:26].[CH3:28][CH2:29][O:30][CH2:31][CH3:32].[Cu:22][C:23]#[N:24].[N:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[Na+:27].[OH2:33]>>[Br:1][c:2]1[c:3]([C:23]#[N:24])[cH:5][cH:6][c:7]([CH3:9])[cH:8]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-3f655957148e46328907c77cbd15989c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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