Sodium ion → HCID 10484866, compound

HRID 2148433Notes

Reaction equation

[C:46]([CH2:47][CH2:48][CH2:49][CH3:50])(=[O:51])[Cl:52].[H-:44].[NH2:1][c:2]1[cH:3][c:4](-[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:5][cH:6][cH:7]1.[Na+:45]>>[NH:1]([c:2]1[cH:3][c:4](-[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:5][cH:6][cH:7]1)[C:46]([CH2:47][CH2:48][CH2:49][CH3:50])=[O:51]

Participants

Reactant 4

HCID 923Sodium ion

HCID 61186Valeryl chloride

HCID 166653Hydride

HCID 100089622-(3-aminophenyl)-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Product 1

HCID 10484866HCID 10484866, compound

Sources & evidence

ORD record: ord-f855e88de3894bc58cb762db9b5a6877
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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