Potassium Cation → 1-(3-methyl-4-nitro-benzyl)-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole

HRID 1217214Notes

Reaction equation

HRID 1217214 reaction equation
[Cu:41][I:42].[F-:33].[F:25][C:26]([F:27])([F:28])[Si:29]([CH3:30])([CH3:31])[CH3:32].[I:1][c:2]1[c:3]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[n:4][n:5]([CH2:7][c:8]2[cH:9][c:10]([CH3:17])[c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:6]1.[K+:34].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:35]>>[c:2]1([C:26]([F:25])([F:27])[F:28])[c:3]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[n:4][n:5]([CH2:7][c:8]2[cH:9][c:10]([CH3:17])[c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:6]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 866171374-iodo-1-(3-methyl-4-nitrobenzyl)-3-pentafluoroethyl-1H-pyrazole

Product 1

HCID 866171381-(3-methyl-4-nitro-benzyl)-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole

Sources & evidence

ORD record
ord-79c923d043a04332b92a3b5925dcc9a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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