Hydrochloric Acid → 6-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carboxamide

Reaction equation

[CH3:25][OH:26].[ClH:24].[Na+:28].[OH-:27].[c:1]1([C:7]2=[N:8][CH2:9][c:10]3[n:11]([c:19]([C:22]#[N: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>>[c:1]1([C:7]2=[N:8][CH2:9][c:10]3[n:11]([c:19]([C:22]([NH2:23])=[O:26])[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

Reactant 5

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium Ion

HCID 961Hydroxide

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

Product 1

HCID 214860186-phenyl-8-chloro-4H-s-triazolo [4,3-a][1,4]benzodiazepine-1-carboxamide

Sources & evidence

ORD record: ord-a7eb84deea574c98be7334068b926d6d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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