Propargyl alcohol → 3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol

HRID 296845Notes

Reaction equation

[CH2:16]([C:17]#[CH:18])[OH:19].[CH2:20]([NH:21][CH2:22][CH3:23])[CH3:24].[Cu:25][I:26].[F:1][C:2]([c:3]1[cH:4][c:5]([I:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:18]#[C:17][CH2:16][OH:19])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]

Participants

Reactant 4

HCID 7859Propargyl alcohol

HCID 8021Diethylamine

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 6309701-Iodo-3,5-bis(trifluoromethyl)benzene

Product 1

HCID 27361793-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol

Sources & evidence

ORD record: ord-63dd9509c05f40668c4bddf2d9e6562b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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