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

HRID 94412

Reaction equation

HRID 94412 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH: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.[C:30]([CH3:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[K+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:30]([CH3:31])=[O:32])[cH:38][cH:37]2)[c:3]2[n:4]([cH:5][cH: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 37021224-Acetylphenylboronic acidHCID 577994658-bromo-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 160051638-(4-acetylphenyl)-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-c521af8c89e94861aae75f66175c0fa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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