Triethylamine → 3-(5-Methylsulfanylpyridin-3-ylethynyl)-benzonitrile

HRID 673375Notes

Reaction equation

HRID 673375 reaction equation
[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([S:15][CH3:16])[cH:14]1.[C:17](#[CH:18])[c:19]1[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[Cu:33][I:34].[Pd:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:9]1([C:18]#[C:17][c:19]2[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]2)[cH:10][n:11][cH:12][c:13]([S:15][CH3:16])[cH:14]1

Participants

8

Reactant 7

HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 120889643-EthynylbenzonitrileHCID 223903593-Bromo-5-(methylthio)pyridine

Product 1

HCID 670477383-(5-Methylsulfanylpyridin-3-ylethynyl)-benzonitrile

Sources & evidence

ORD record
ord-d60ea8b4b3854259a98097380c5087e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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