Ammonium → alpha,alpha,alpha-Trifluoro-m-tolunitrile

HRID 1202573Notes

Reaction equation

HRID 1202573 reaction equation
[Br:4][c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1.[C-:1]#[N:2].[CH3:15][NH:16][CH2:17][CH2:18][NH:19][CH3:20].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cu:23][I:24].[NH4+:21].[Na+:3].[OH-:22].[OH2:25]>>[c:5]1([C:15]#[N:16])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 5975CyanideHCID 8070N,N'-DimethylethylenediamineHCID 8857Ethyl AcetateHCID 9817Benzene, 1-bromo-3-(trifluoromethyl)-HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 67783alpha,alpha,alpha-Trifluoro-m-tolunitrile

Sources & evidence

ORD record
ord-4e63fcaa696548b692bbb24287a86115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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