Acetonitrile → 3-Bromo-5-(4-fluorophenylethynyl)-pyridine

HRID 316355Notes

Reaction equation

HRID 316355 reaction equation
[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([C:15]#[CH:16])[cH:14]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:25][C:26]#[N:27].[Cu:69][I:70].[F:17][c:18]1[cH:19][cH:20][c:21]([I:24])[cH:22][cH:23]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>>[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([C:15]#[C:16][c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)[cH:14]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 96054-FluoroiodobenzeneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 154238793-Bromo-5-ethynylpyridine

Product 1

HCID 670476153-Bromo-5-(4-fluorophenylethynyl)-pyridine

Sources & evidence

ORD record
ord-c81c29161b8d4688beeef971897f4e6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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