Hexane → 3-[4-(5-tert-Butyl-2-methyl-phenylethynyl)-phenyl]-acrylic acid ethyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:12]#[CH:13])[c:8]([CH3:11])[cH:9][cH:10]1.[CH2:14]([CH3:15])[O:16][C:17]([CH:18]=[CH:19][c:20]1[cH:21][cH:22][c:23]([I:26])[cH:24][cH:25]1)=[O:27].[CH2:28]([N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH3:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[Cu:47][I:48].[Pd:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:12]#[C:13][c:23]2[cH:22][cH:21][c:20]([CH:19]=[CH:18][C:17]([O:16][CH2:14][CH3:15])=[O:27])[cH:25][cH:24]2)[c:8]([CH3:11])[cH:9][cH:10]1Participants
9
Reactant 8
HCID 8058Hexane
HCID 8471Triethylamine
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 211071904-tert-Butyl-2-ethynyl-1-methyl-benzene
HCID 541932622-Propenoic acid, 3-(4-iodophenyl)-, ethyl esterProduct 1
Sources & evidence
- ORD record
- ord-f398da9217864dd392db37be5ba39af4
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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