Potassium Cation → 7-(4-chlorophenyl)-2-((6-chloropyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 161526Notes

Reaction equation

HRID 161526 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[Cl:30][c:31]1[n:32][cH:33][c:34]([CH2:37][Cl:38])[cH:35][cH:36]1.[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[n:15]([CH2:37][c:34]2[cH:33][n:32][c:31]([Cl:30])[cH:36][cH:35]2)[n:16]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1554792-Chloro-5-(chloromethyl)pyridineHCID 597167437-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 119899567-(4-chlorophenyl)-2-((6-chloropyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-8a891acf344a4097ae531c1b8437229f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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