Chloride → 4''-[1-(5-Amino-2-chloro-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide

HRID 1552495Notes

Reaction equation

HRID 1552495 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][C:36]([c:37]4[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]4)=[O:44])(=[O:45])=[O:46])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([Cl:19])[cH:12][cH:13][c:14]([N+:16]([O-:17])=[O:18])[cH:15]2)[n:9]1.[Cl-:49].[OH2:47].[OH2:48]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][C:36]([c:37]4[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]4)=[O:44])(=[O:45])=[O:46])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([Cl:19])[cH:12][cH:13][c:14]([NH2:16])[cH:15]2)[n:9]1

Participants

4

Reactant 3

HCID 312ChlorideHCID 962Water2×HCID 104171444''-[3-Butyl-1-(2-chloro-5-nitro-phenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide

Product 1

HCID 100321934''-[1-(5-Amino-2-chloro-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide

Sources & evidence

ORD record
ord-e6aa96fad9fc470d82c10cb80ac9f165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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