Ammonia → 6-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carbonitrile
Reaction equation
[NH3:24].[c:1]1([C:7]2=[N:8][CH2:9][c:10]3[n:11]([c:19]([CH:22]=[O:23])[n:20][n:21]3)-[c:12]3[c:13]2[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:1]1([C:7]2=[N:8][CH2:9][c:10]3[n:11]([c:19]([C:22]#[N:24])[n:20][n:21]3)-[c:12]3[c:13]2[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-651da0104c8a490a8172f06234ccb955
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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