Potassium Cation → 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 315797

Reaction equation

HRID 315797 reaction equation
[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[c:3](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[cH:10][c:11]3[n:12]([n:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:4][cH:5][cH:6][cH:7]1.[F:25][C:26]([CH2:27][CH2:28][CH2:29][I:30])([F:31])[F:32].[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[cH:10][c:11]3[n:12]([n:13]2)[c:14](=[O:17])[n:15]([CH2:29][CH2:28][CH2:27][C:26]([F:25])([F:31])[F:32])[n:16]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 27751891,1,1-Trifluoro-4-iodobutaneHCID 596416776-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 156035346-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-d88ddc8d3a9e46598c01fd5d0920cb7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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