Nitrogen → 4-[3-(4-Fluorophenoxy)phenyl]but-3-yn-2-ol

HRID 176457Notes

Reaction equation

HRID 176457 reaction equation
[C:51]([O:52][CH3:53])([CH3:54])([CH3:55])[CH3:56].[CH3:35][CH:36]([C:37]#[CH:38])[OH:39].[CH:40]([NH:41][CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cu:49][I:50].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([I:13])[cH:10][cH:11][cH:12]2)[cH:14][cH:15]1.[N:47]#[N:48].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:38]#[C:37][CH:36]([CH3:35])[OH:39])[cH:10][cH:11][cH:12]2)[cH:14][cH:15]1

Participants

8

Reactant 7

HCID 947NitrogenHCID 7912DiisopropylamineHCID 11776TriphenylphosphineHCID 15413tert-Butyl methyl etherHCID 162393-Butyn-2-olHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27373453-(4-Fluorophenoxy)iodobenzene

Product 1

HCID 197045224-[3-(4-Fluorophenoxy)phenyl]but-3-yn-2-ol

Sources & evidence

ORD record
ord-7e1f2bb9276b45a89efe22ec32648d84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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