Potassium Cation → 1-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-(4-bromo-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

HRID 100146

Reaction equation

HRID 100146 reaction equation
[Br:1][c:2]1[c:3]([C:8]([F:9])([F:10])[F:11])[n:4][nH:5][c:6]1[CH3:7].[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[Cl:18][CH2:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[CH2:26][CH2:27]1.[K+:12].[K+:13].[O-:14][C:15]([O-:16])=[O:17].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[Br:1][c:2]1[c:3]([C:8]([F:9])([F:10])[F:11])[n:4][n:5]([CH2:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][N:25]([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[CH2:26][CH2:27]2)[c:6]1[CH3:7]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27364304-Bromo-3-methyl-5-(trifluoromethyl)pyrazoleHCID 40539571-(Chloroacetyl)-4-(4-chlorophenyl)piperazine

Product 1

HCID 210709961-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-(4-bromo-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

Sources & evidence

ORD record
ord-0193935f16224bbc9e654e18a7cee2a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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