Dimethylformamide → 2-(10-Chloro-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-2-yl)acetonitrile
Reaction equation
[Br:18][CH2:19][C:20]#[N:21].[Cl:1][c:2]1[n:3][c:4]2[c:10]([cH:11][n:12]1)[N:9]([CH3:13])[C:8](=[O:14])[CH2:7][CH2:6][N:5]2[CH2:15][C:16]#[CH:17].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26]>>[Cl:1][c:2]1[n:3][c:4]2[c:10]([cH:11][n:12]1)[N:9]([CH3:13])[C:8](=[O:14])[CH2:7][CH2:6][N:5]2[CH2:15][C:16]#[N:21]Participants
4
Sources & evidence
- ORD record
- ord-93e848cf5e364485a82ab366163a372a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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