Acetate → 3-(4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(3-thiophen-3-yl-phenoxy)-propionic acid ethyl ester

HRID 171781Notes

Reaction equation

HRID 171781 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:8][C:9]([CH3:10])([CH2:11][c:12]2[cH:13][cH:14][c:15]([O:16][CH2:17][CH2:18][c:19]3[n:20][c:21]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[o:28][c:29]3[CH3:30])[cH:31][cH:32]2)[C:33]([OH:34])=[O:35])[cH:5][cH:6][cH:7]1.[C:106]([O-:107])(=[O:108])[CH3:109].[C:111]([O-:112])(=[O:113])[CH3:114].[CH2:101]1[O:102][CH2:103][CH2:104][CH2:105]1.[CH2:65]([CH3:66])[O:67][C:68]([C:69]([CH2:70][c:71]1[cH:72][cH:73][c:74]([O:77][CH2:78][CH2:79][c:80]2[n:81][c:82]([CH:86]3[CH2:87][CH2:88][CH2:89][CH2:90][CH2:91]3)[o:83][c:84]2[CH3:85])[cH:75][cH:76]1)([O:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH3:99])=[O:100].[CH3:115][CH2:116][O:117][C:118](=[O:119])[CH3:120].[F-:63].[K+:64].[Pd+2:110].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[s:36]1[cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1>>[s:36]1[cH:37][c:38](-[c:97]2[cH:96][cH:95][cH:94][c:93]([O:92][C:69]([C:68]([O:67][CH2:65][CH3:66])=[O:100])([CH2:70][c:71]3[cH:72][cH:73][c:74]([O:77][CH2:78][CH2:79][c:80]4[n:81][c:82]([CH:86]5[CH2:87][CH2:88][CH2:89][CH2:90][CH2:91]5)[o:83][c:84]4[CH3:85])[cH:75][cH:76]3)[CH3:99])[cH:98]2)[cH:39][cH:40]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581760Thiophene-3-boronic acidHCID 208231432-Methyl-3-(4-{2-[5-methyl-2-cyclohexyl-oxazol-4-yl]-ethoxy}-phenyl)-2-phenoxypropionic Acid Ethyl EsterHCID 223400282-(3-Bromo-phenoxy)-3-(4-[2-(2-cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-propionic acid

Product 1

HCID 208231423-(4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(3-thiophen-3-yl-phenoxy)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-b760491826c24be7a1c5f9126e2ca6e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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