Potassium Cation → 2-Ethynyl-4-methyl-phenol

HRID 147357

Reaction equation

HRID 147357 reaction equation
[Br:1][c:2]1[c:3]([OH:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:10][Si:11]([CH3:12])([CH3:13])[C:14]#[CH:15].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:18][CH2:19][Cl:20].[Cu:75][I:76].[F-:16].[K+:17].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[Pd:34]([Cl:35])[Cl:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([C:14]#[CH:15])[c:3]([OH:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

11

Reactant 10

HCID 813Potassium CationHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 231092-Bromo-4-methylphenolHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 66111Trimethylsilylacetylene

Product 1

HCID 104868922-Ethynyl-4-methyl-phenol

Sources & evidence

ORD record
ord-81afacb15e53484cbb550e30db35e77f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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