Ammonium → 3-Chloro-5-(p-tolylethynyl)picolinonitrile

HRID 687499Notes

Reaction equation

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

Participants

Reactant 8

HCID 223Ammonium

HCID 961Hydroxide

HCID 6228Dimethylformamide

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

HCID 13018p-Ethynyltoluene

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 27696993,5-Dichloro-2-cyanopyridine

Product 1

HCID 668757343-Chloro-5-(p-tolylethynyl)picolinonitrile

Sources & evidence

ORD record: ord-72a2343bcf4649c5a3598fbd70c0f106
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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