Potassium Cation → 3-[1-(1-Methylethyl)-5-phenyl-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

HRID 94671Notes

Reaction equation

HRID 94671 reaction equation
[I:29][CH:30]([CH3:31])[CH3:32].[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39].[c:1]1(-[c:7]2[n:8][nH:9][cH:10][c:11]2-[c:12]2[n:13][n:14](-[c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[cH:15][cH:16][c:17]2=[O:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8]([CH:30]([CH3:31])[CH3:32])[n:9][cH:10][c:11]2-[c:12]2[n:13][n:14](-[c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[cH:15][cH:16][c:17]2=[O:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6362Isopropyl iodideHCID 19660Carbonate IonHCID 178516401HCID 178516401, compound

Product 1

HCID 580721943-[1-(1-Methylethyl)-5-phenyl-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-d006cfa17b074cf0bfa7c8e11e427b5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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