Bicarbonate Ion → N-(1,3-Dimethyl-1H-pyrazol-5-yl)-2-sulfanylbenzamide

HRID 171433Notes

Reaction equation

HRID 171433 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][n:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]1[NH:7][C:8](=[O:9])[c:10]1[c:11]([S:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:12][cH:13][cH:14][cH:15]1.[CH3:38][OH:39].[Na+:27].[Na+:32].[O-:28][C:29]([OH:30])=[O:31].[OH-:26]>>[CH3:1][n:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]1[NH:7][C:8](=[O:9])[c:10]1[c:11]([SH:16])[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 86610047thiobenzoic acid S-[2-(2,5-dimethyl-2H-pyrazol-3-ylcarbamoyl)-phenyl]ester

Product 1

HCID 69144537N-(1,3-Dimethyl-1H-pyrazol-5-yl)-2-sulfanylbenzamide

Sources & evidence

ORD record
ord-13529e20979f460783dc57dbe2c497e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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