Water → 4-(4-Fluorophenyl)but-3-yn-1-ol

HRID 1553658Notes

Reaction equation

HRID 1553658 reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1.[CH2:28]([CH2:29][C:30]#[CH:31])[OH:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[Cu:88][I:89].[OH2:46].[Pd:47]([Cl:48])[Cl:49].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:21]1([C:31]#[C:30][CH2:29][CH2:28][OH:32])[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1

Participants

9

Reactant 8

HCID 962WaterHCID 8471TriethylamineHCID 99931-Bromo-4-fluorobenzeneHCID 11776Triphenylphosphine3×HCID 135663-Butyn-1-OLHCID 15413tert-Butyl methyl etherHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 124784404-(4-Fluorophenyl)but-3-yn-1-ol

Sources & evidence

ORD record
ord-ecffa0b1add74edabac06a5d805978c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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