Ammonium → Indole-5-carbonitrile

HRID 2318976Notes

Reaction equation

HRID 2318976 reaction equation
[Br:4][c:5]1[cH:6][c:7]2[cH:8][cH:9][nH:10][c:11]2[cH:12][cH:13]1.[C-:1]#[N:2].[CH3:14][NH:15][CH2:16][CH2:17][NH:18][CH3:19].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cu:22][I:23].[NH4+:20].[Na+:3].[OH-:21].[OH2:24]>>[c:5]1([C:14]#[N:15])[cH:6][c:7]2[cH:8][cH:9][nH:10][c:11]2[cH:12][cH:13]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 5975CyanideHCID 8070N,N'-DimethylethylenediamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 249055-Bromoindole

Product 1

HCID 27513Indole-5-carbonitrile

Sources & evidence

ORD record
ord-36c79066b3134f75bce4c9322785b2fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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