Benzenesulfonyl chloride → HCID 10349512, compound

HRID 2336423Notes

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]([NH2:35])(=[O:36])=[O:37])[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]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1.[c:38]1([S:44](=[O:45])(=[O:46])[Cl:47])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[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][S:44]([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)(=[O:45])=[O:46])(=[O:36])=[O:37])[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]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1

Participants

Reactant 2

HCID 7369Benzenesulfonyl chloride

HCID 103469025-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 10349512HCID 10349512, compound

Sources & evidence

ORD record: ord-518021bdef65496e8101a94c0e52ac8e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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