Acetate → (4-Fluorophenyl)-2-methyl-3-butyne-2-ol
Reaction equation
[Br:52][c:53]1[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]1.[C:39]([PH+:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])([CH3:49])([CH3:50])[CH3:51].[CH3:60][C:61]([CH3:62])([C:63]#[CH:64])[OH:65].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]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-:67].[Na+:66].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[Pd+2:68].[c:14]1([B-:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[c:53]1([CH2:60][C:61]([CH3:62])([C:63]#[CH:64])[OH:65])[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]1Participants
12
Reactant 11
HCID 175Acetate2×
HCID 312Chloride
HCID 923Sodium ion
HCID 1140Toluene
HCID 7582Dicyclohexylamine
HCID 8028Tetrahydrofuran
HCID 82582-Methyl-3-butyn-2-ol
HCID 8934Tetraphenylborate
HCID 99931-Bromo-4-fluorobenzene
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 4060964Tri-t-butylphosphoniumProduct 1
Sources & evidence
- ORD record
- ord-ca1df5259ef9496da45a23488d310aeb
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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