Acetate → (4-Fluorophenyl)-2-methyl-3-butyne-2-ol

HRID 103156Notes

Reaction equation

HRID 103156 reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1.[CH3:22][C:23]([CH3:24])([C:25]#[CH:26])[OH:27].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:1]1([NH:2][CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[Cl-:29].[Na+:28].[O-:31][C:32]([CH3:33])=[O:34].[O-:35][C:36]([CH3:37])=[O:38].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[Pd+2:30]>>[c:15]1([CH2:22][C:23]([CH3:24])([C:25]#[CH:26])[OH:27])[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 7582DicyclohexylamineHCID 8028TetrahydrofuranHCID 82582-Methyl-3-butyn-2-olHCID 99931-Bromo-4-fluorobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 23136659(4-Fluorophenyl)-2-methyl-3-butyne-2-ol

Sources & evidence

ORD record
ord-deb2597b6c3941e993a0ad29dbaae428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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