1,2-Dichloroethane → 6-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carbonitrile

HRID 305304Notes

Reaction equation

HRID 305304 reaction equation
[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5].[c:6]1([C:12]2=[N:13][CH2:14][c:15]3[n:16]([c:24]([C:27](=[O:28])[NH2:29])[n:25][n:26]3)-[c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([C:12]2=[N:13][CH2:14][c:15]3[n:16]([c:24]([C:27]#[N:29])[n:25][n:26]3)-[c:17]3[c:18]2[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:7][cH:8][cH:9][cH:10][cH:11]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 24813Phosphorus oxychlorideHCID 214860186-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carboxamide

Product 1

HCID 125624996-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carbonitrile

Sources & evidence

ORD record
ord-04b1cd14ca154f27a5359c60ae7c587c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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