Ammonium → Ethyl 4-((5-chloro-6-cyanopyridin-3-yl)ethynyl)-3-methylbenzoate

HRID 1140225Notes

Reaction equation

HRID 1140225 reaction equation
[C:11](#[CH:12])[c:13]1[c:14]([CH3:24])[cH:15][c:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:1][c:2]1[c:3]([C:9]#[N:10])[n:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cu:45][I:46].[NH4+:43].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH-:44]>>[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]([CH3:24])[cH:15][c:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]2)[cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 961HydroxideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27696993,5-Dichloro-2-cyanopyridineHCID 86652354Ethyl 4-ethynyl-3-methylbenzoate

Product 1

HCID 66875033Ethyl 4-((5-chloro-6-cyanopyridin-3-yl)ethynyl)-3-methylbenzoate

Sources & evidence

ORD record
ord-fefd83fc41824192b0d84f469adb0214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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