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

HRID 136428Notes

Reaction equation

HRID 136428 reaction equation
[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]([c:27]1[cH:28][cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34]1)([F:35])[F:36].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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])[n:15]([CH2:31][c:30]2[cH:29][cH:28][c:27]([C:26]([F:25])([F:35])[F:36])[cH:34][cH:33]2)[n:16]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 596416776-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Product 1

HCID 156035292-(4-(trifluoromethyl)benzyl)-6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-149035efca4f43bfab64eaa38cc58939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…