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

HRID 321836Notes

Reaction equation

HRID 321836 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:10]3[n:11]([c:12]([S:14][CH3:15])[n:13]2)[c:16](=[O:19])[nH:17][n:18]3)[cH:6][cH:7]1.[Cl:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[n:32][cH:33]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:10]3[n:11]([c:12]([S:14][CH3:15])[n:13]2)[c:16](=[O:19])[n:17]([CH2:27][c:28]2[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[n:32][cH:33]2)[n:18]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27738105-(Chloromethyl)-2-(trifluoromethyl)pyridineHCID 587728337-(4-chlorophenyl)-5-(methylthio)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Product 1

HCID 159537047-(4-chlorophenyl)-5-(methylthio)-8-phenyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Sources & evidence

ORD record
ord-5dcd6424120f4686bc3c0a6507b55e61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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