4-Chloro-3-(pyridin-2-yl)aniline → N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzamide

HRID 168508Notes

Reaction equation

HRID 168508 reaction equation
[CH3:19][n:20]1[c:21]([S:25](=[O:26])(=[O:27])[CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]2)[n:22][n:23][cH:24]1.[CH3:1][n:2]1[cH:3][n:4][n:5][c:6]1[S:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:13]([OH:14])=[O:15])[cH:16][cH:17]1)=[O:18].[Cl:38][c:39]1[c:40](-[c:46]2[n:47][cH:48][cH:49][cH:50][cH:51]2)[cH:41][c:42]([NH2:43])[cH:44][cH:45]1>>[CH3:19][n:20]1[c:21]([S:25](=[O:26])(=[O:27])[CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:35])[NH:43][c:42]3[cH:41][c:40](-[c:46]4[n:47][cH:48][cH:49][cH:50][cH:51]4)[c:39]([Cl:38])[cH:45][cH:44]3)[cH:36][cH:37]2)[n:22][n:23][cH:24]1

Participants

4

Reactant 3

HCID 401519254-Chloro-3-(pyridin-2-yl)anilineHCID 668955914-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acidHCID 668961684-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoic acid

Product 1

HCID 58614821N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzamide

Sources & evidence

ORD record
ord-5a04aa449aa84047a6978cbb1975d6f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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