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

HRID 1567475Notes

Reaction equation

HRID 1567475 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:35]1)[C:7]([c:28]1[c:29]([Cl:34])[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.[NH2:37][NH2:38].[OH2:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:35]1)[C:7]([c:28]1[c:29]([Cl:34])[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

4

Reactant 3

HCID 962WaterHCID 9321HydrazineHCID 126123968-chloro-1-(2-phthalimidoethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Product 1

HCID 126124071-(2-aminoethyl)-8-chloro-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Sources & evidence

ORD record
ord-f16a6acd9f184ddfa72cd5c21d12fca3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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