Ammonium → 3-Chloro-5-(mesitylethynyl)picolinonitrile

HRID 1223349Notes

Reaction equation

[C:11](#[CH:12])[c:13]1[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]1[CH3:19].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[c:3]([C:9]#[N:10])[n:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cu:42][I:43].[NH4+:40].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH-:41]>>[Cl:1][c:2]1[c:3]([C:9]#[N:10])[n:4][cH:5][c:6]([C:12]#[C:11][c:13]2[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]2[CH3:19])[cH:7]1

Participants

Reactant 8

HCID 223Ammonium

HCID 961Hydroxide

HCID 6228Dimethylformamide

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

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

HCID 1366102-Ethynyl-1,3,5-trimethylbenzene

HCID 27696993,5-Dichloro-2-cyanopyridine

Product 1

HCID 668749493-Chloro-5-(mesitylethynyl)picolinonitrile

Sources & evidence

ORD record: ord-d2d19769637f4618bb60736be18fac15
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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