Hydrochloric Acid → 8-amino-6-(o-fluorophenyl)-1,4,4-trimethyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

HRID 156460Notes

Reaction equation

HRID 156460 reaction equation
[ClH:35].[F:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:26])([CH3:27])[c:11]3[n:12]([c:22]([CH3:25])[n:23][n:24]3)-[c:13]3[c:14]2[cH:15][c:16]([N+:19]([O-:20])=[O:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[Na+:34].[OH-:33].[Sn:28]([Cl:29])([Cl:30])([Cl:31])[Cl:32]>>[F:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:26])([CH3:27])[c:11]3[n:12]([c:22]([CH3:25])[n:23][n:24]3)-[c:13]3[c:14]2[cH:15][c:16]([NH2:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 24287Tin tetrachlorideHCID 205085396-(o-fluorophenyl)-1,4,4-trimethyl-8-nitro-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Product 1

HCID 205085588-amino-6-(o-fluorophenyl)-1,4,4-trimethyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Sources & evidence

ORD record
ord-bd2abc07851c49ed8485419f04ab793a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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