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

HRID 140266Notes

Reaction equation

HRID 140266 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[K+:44].[K+:45].[K+:46].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[n:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1>>[c:2]1(-[c:33]2[cH:32][cH:31][n:30][cH:35][cH:34]2)[c:3]2[n:4]([cH:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 2734379(Pyridin-4-yl)boronic acidHCID 587728488-bromo-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Product 1

HCID 159536677-(4-chlorophenyl)-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-946dd7bee4bc4a028620a5e1ca857a7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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