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

HRID 2333672Notes

Reaction equation

HRID 2333672 reaction equation
[C:25]([O-:26])(=[O:27])[CH3:28].[C:29]([O-:30])(=[O:31])[CH3:32].[C:33]([O-:34])(=[O:35])[CH3:36].[C:37]([O-:38])(=[O:39])[CH3:40].[NH3:24].[Pb+4:41].[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:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]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]1

Participants

6

Reactant 5

HCID 175Acetate4×HCID 222AmmoniaHCID 241BenzeneHCID 214860116-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehydeHCID 178527690HCID 178527690, compound

Product 1

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

Sources & evidence

ORD record
ord-e548b5a74c124769b9af0c71ff6dfb35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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