Potassium Cation → 4-(1H-indol-5-yl)-2-methyl-but-3-yn-2-ol

HRID 2335510Notes

Reaction equation

HRID 2335510 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][C:37]([CH3:38])([C:39]#[CH:40])[OH:41].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cu:42][I:43].[I:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[cH:9][cH:10]1.[K+:34].[K+:35].[Pd:44].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:2]1([C:40]#[C:39][C:37]([CH3:36])([CH3:38])[OH:41])[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 80711,2-DimethoxyethaneHCID 82582-Methyl-3-butyn-2-olHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27823135-Iodo-1H-indole

Product 1

HCID 668793284-(1H-indol-5-yl)-2-methyl-but-3-yn-2-ol

Sources & evidence

ORD record
ord-96a2a993af9d432d8debb6aa536fbe88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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