Ammonium → 4-Benzoylbenzonitrile

HRID 1127746Notes

Reaction equation

HRID 1127746 reaction equation
[Br:4][c:5]1[cH:6][cH:7][c:8]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1.[C-:1]#[N:2].[CH3:19][NH:20][CH2:21][CH2:22][NH:23][CH3:24].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cu:27][I:28].[NH4+:25].[Na+:3].[OH-:26].[OH2:29]>>[c:5]1([C:19]#[N:20])[cH:6][cH:7][c:8]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 5975CyanideHCID 70304-BromobenzophenoneHCID 8070N,N'-DimethylethylenediamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 739214-Benzoylbenzonitrile

Sources & evidence

ORD record
ord-de8b0d2e52a44c3cb9f640a276d13930
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…