Triethylamine → 5-(5-Chloropyridin-3-ylethynyl)-2-fluorobenzonitrile

HRID 2337851Notes

Reaction equation

HRID 2337851 reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:8]#[CH:9])[cH:7]1.[Cu:68][I:69].[F:10][c:11]1[c:12]([C:13]#[N:14])[cH:15][c:16]([I:19])[cH:17][cH:18]1.[Pd:27]([Cl:28])[Cl:29].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:8]#[C:9][c:16]2[cH:15][c:12]([C:13]#[N:14])[c:11]([F:10])[cH:18][cH:17]2)[cH:7]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27789282-Fluoro-5-iodobenzonitrileHCID 235008873-Chloro-5-ethynylpyridine

Product 1

HCID 670479015-(5-Chloropyridin-3-ylethynyl)-2-fluorobenzonitrile

Sources & evidence

ORD record
ord-ef2142ca06494a8db5cb46291acca0eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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