Sodium ion → 4-(Pentafluoroethyl)benzonitrile

HRID 2333040Notes

Reaction equation

HRID 2333040 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH3:27][CH2:28][O:29][CH2:30][CH3:31].[Cu:32][I:33].[F:10][C:11]([C:12]([C:13]([O-:14])=[O:15])([F:16])[F:17])([F:18])[F:19].[Na+:20].[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[OH2:26]>>[c:2]1([C:12]([C:11]([F:10])([F:18])[F:19])([F:16])[F:17])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 12162Benzonitrile, 4-bromo-HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 3858030Perfluoropropanoate

Product 1

HCID 147741854-(Pentafluoroethyl)benzonitrile

Sources & evidence

ORD record
ord-bd6bc3d3d7fc4c1b931369be442270f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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