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

HRID 307192

Reaction equation

HRID 307192 reaction equation
[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl:1][c:2]1[c:3]([C:13]([F:14])([F:15])[F:16])[n:4][nH:5][c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:23][CH2:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([c:33]2[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]2)[CH2:31][CH2:32]1.[K+:17].[K+:18].[O-:19][C:20]([O-:21])=[O:22].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Cl:1][c:2]1[c:3]([C:13]([F:14])([F:15])[F:16])[n:4][n:5]([CH2:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[CH2:31][CH2:32]2)[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 40539571-(Chloroacetyl)-4-(4-chlorophenyl)piperazineHCID 178506302HCID 178506302, compound

Product 1

HCID 210709971-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

Sources & evidence

ORD record
ord-6f6e0d4d5c35455f834dfd43bffcde63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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