Ethanol → 1-(2-aminoethyl)-8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

HRID 1206675Notes

Reaction equation

HRID 1206675 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[C:7]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][CH2:16][N:17]2[C:18](=[O:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[C:26]2=[O:27])[n:13][n:14]1.[NH2:42][NH2:43].[OH2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[C:7]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][CH2:16][NH2:17])[n:13][n:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 9321HydrazineHCID 126123918-chloro-6-phenyl-1-(2-phthalimidoethyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Product 1

HCID 126124031-(2-aminoethyl)-8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Sources & evidence

ORD record
ord-cceb2bb8b8ae48b3ae361567fe81555f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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