Triethylamine → 5-(2-Chlorophenylethynyl)-nicotinonitrile

HRID 2339155Notes

Reaction equation

HRID 2339155 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][n:5][cH:6][c:7]([C:8]#[N:9])[cH:10]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cl:11][c:12]1[c:13]([I:18])[cH:14][cH:15][cH:16][cH:17]1.[Cu:73][I:74].[Pd:32]([Cl:33])[Cl:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[C:1](#[C:2][c:13]1[c:12]([Cl:11])[cH:17][cH:16][cH:15][cH:14]1)[c:3]1[cH:4][n:5][cH:6][c:7]([C:8]#[N:9])[cH:10]1

Participants

8

Reactant 7

HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 119931-Chloro-2-iodobenzeneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 224165635-Ethynylnicotinonitrile

Product 1

HCID 670476285-(2-Chlorophenylethynyl)-nicotinonitrile

Sources & evidence

ORD record
ord-ffffaaeffdf446afb180a816b850d0c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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