Triethylamine → 2-Fluoro-5-(5-methoxypyridin-3-ylethynyl)-benzonitrile

HRID 2160920Notes

Reaction equation

HRID 2160920 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][n:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cu:69][I:70].[F:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([I:20])[cH:18][cH:19]1.[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[C:1](#[C:2][c:17]1[cH:16][c:13]([C:14]#[N:15])[c:12]([F:11])[cH:19][cH:18]1)[c:3]1[cH:4][n:5][cH:6][c:7]([O:9][CH3:10])[cH:8]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 210973493-Ethynyl-5-methoxypyridine

Product 1

HCID 670476092-Fluoro-5-(5-methoxypyridin-3-ylethynyl)-benzonitrile

Sources & evidence

ORD record
ord-699682a5042042aebb82800ebc23b10d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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