Potassium Cation → 4-((7-(4-chlorophenyl)-3,6-dioxo-8-(pyridin-4-yl)-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-5(6H)-yl)methyl)benzonitrile

HRID 190327Notes

Reaction equation

HRID 190327 reaction equation
[Br:31][CH2:32][c:33]1[cH:34][cH:35][c:36]([C:37]#[N:38])[cH:39][cH:40]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][n:22][cH:23][cH:24]3)[c:10]3[n:11]([nH:12][c:13]2=[O:14])[c:15](=[O:18])[nH:16][n:17]3)[cH:6][cH:7]1.[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][n:22][cH:23][cH:24]3)[c:10]3[n:11]([n:12]([CH2:32][c:33]4[cH:34][cH:35][c:36]([C:37]#[N:38])[cH:39][cH:40]4)[c:13]2=[O:14])[c:15](=[O:18])[nH:16][n:17]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 869964-(Bromomethyl)benzonitrileHCID 595155337-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6(2H,5H)-dione

Product 1

HCID 113744544-((7-(4-chlorophenyl)-3,6-dioxo-8-(pyridin-4-yl)-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-5(6H)-yl)methyl)benzonitrile

Sources & evidence

ORD record
ord-0bab54b97346454fa0c2ec35a0999e54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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