5-bromo-2-(4-methyl-1H-imidazol-1-yl)benzonitrile → HCID 59324053, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1.[CH3:16][O:17][C:18]([c:19]1[cH:20][c:21]([CH2:25][n:26]2[n:27][c:28]([NH2:31])[n:29][cH:30]2)[cH:22][cH:23][cH:24]1)=[O:32]>>[c:2]1([NH:31][c:28]2[n:27][n:26]([CH2:25][c:21]3[cH:20][c:19]([C:18]([O:17][CH3:16])=[O:32])[cH:24][cH:23][cH:22]3)[cH:30][n:29]2)[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-90525a30209f46e481434dac11370ea9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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