Acetate → HCID 9898926, compound
Reaction equation
[Br:20][c:21]1[s:22][cH:23][cH:24][n:25]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:33][C:34]([C:35]#[CH:36])([CH3:37])[CH3:38].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[Cu:59][I:60].[K+:30].[K+:31].[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[OH2:32].[Pd+2:50].[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:21]1([C:36]#[C:35][C:34]([CH3:33])([CH3:37])[CH3:38])[s:22][cH:23][cH:24][n:25]1Participants
14
Reactant 13
HCID 175Acetate2×
HCID 813Potassium Cation2×
HCID 962Water
HCID 8028Tetrahydrofuran
HCID 8058Hexane
HCID 80711,2-Dimethoxyethane
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine
HCID 135123,3-Dimethyl-1-butyne
HCID 19660Carbonate Ion
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 764302-Bromothiazole
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)Product 1
Sources & evidence
- ORD record
- ord-d4d199d78e104fb3919bec77b3a85554
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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