Hydrochloric Acid → 7-(4-chlorophenyl)-8-(pyridin-4-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 1233917Notes

Reaction equation

HRID 1233917 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:31][CH2:32][c:33]1[n:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[ClH:30].[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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]([CH2:32][c:33]2[n:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]2)[n:16]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 183617202-(Chloromethyl)-5-(trifluoromethyl)pyridineHCID 597167437-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 597168487-(4-chlorophenyl)-8-(pyridin-4-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-58c02ed9f0794f1591cede577c7f33c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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