Potassium Cation → 7-(4-chlorophenyl)-5-methyl-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

HRID 168809Notes

Reaction equation

HRID 168809 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([c:5]([CH3:15])[n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:30])[n:17]([CH2:19][c:20]1[cH:21][n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[n:18]2.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[K+:45].[K+:46].[K+:47].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[n:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][cH:32][n:31][cH:36][cH:35]2)[c:3]2[n:4]([c:5]([CH3:15])[n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:30])[n:17]([CH2:19][c:20]1[cH:21][n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[n:18]2

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 2734379(Pyridin-4-yl)boronic acidHCID 587728438-bromo-7-(4-chlorophenyl)-5-methyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Product 1

HCID 159537037-(4-chlorophenyl)-5-methyl-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Sources & evidence

ORD record
ord-4ecbd312153b4173961ec210202f4049
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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