Potassium Cation → 6-((8-bromo-7-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)nicotinonitrile

HRID 198513

Reaction equation

HRID 198513 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:18])[nH:16][n:17]2.[Cl:25][CH2:26][c:27]1[n:28][cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:40]>>[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:18])[n:16]([CH2:26][c:27]1[n:28][cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34]1)[n:17]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 149805356-(Chloromethyl)pyridine-3-carbonitrileHCID 577994388-Bromo-7-(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 577993806-((8-bromo-7-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)nicotinonitrile

Sources & evidence

ORD record
ord-a1e0adc62edf48769189e4f4b3f8c4d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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