Sodium ion → N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide

HRID 829287

Reaction equation

HRID 829287 reaction equation
[C:47]([CH2:48][CH3:49])(=[O:50])[Br:51].[H-:45].[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1.[Na+:46].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1)[C:47]([CH2:48][CH3:49])=[O:50]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 69018Propionyl bromideHCID 166653HydrideHCID 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

Product 1

HCID 10101284N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide

Sources & evidence

ORD record
ord-a7a762f002184165a9526cbf818ed729
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Linked notes

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