Acetate → [4'-(1-ethyl-1-{4-[2-(1-hydroxy-cyclopentyl)-ethyl]-3-methyl-phenyl}-propyl)-2'-methyl-biphenyl-4-yl]-acetic Acid Methyl Ester

HRID 1119963Notes

Reaction equation

HRID 1119963 reaction equation
[C:100]([O-:101])(=[O:102])[CH3:103].[C:95]([O-:96])(=[O:97])[CH3:98].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:70])[c:58]([B:61]2[O:62][C:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[O:69]2)[cH:59][cH:60]1)[c:71]1[cH:72][c:73]([CH3:85])[c:74]([CH2:77][CH2:78][C:79]2([OH:84])[CH2:80][CH2:81][CH2:82][CH2:83]2)[cH:75][cH:76]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)=[O:12].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl-:86].[K+:47].[K+:48].[K+:49].[NH4+:87].[OH2:104].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:99]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:58]2[c:57]([CH3:70])[cH:56][c:55]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:71]3[cH:72][c:73]([CH3:85])[c:74]([CH2:77][CH2:78][C:79]4([OH:84])[CH2:80][CH2:81][CH2:82][CH2:83]4)[cH:75][cH:76]3)[cH:60][cH:59]2)[cH:9][cH:10]1)=[O:12]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 316783Methyl 2-(4-bromophenyl)acetateHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 57709074HCID 57709074, compound

Product 1

HCID 57709017[4'-(1-ethyl-1-{4-[2-(1-hydroxy-cyclopentyl)-ethyl]-3-methyl-phenyl}-propyl)-2'-methyl-biphenyl-4-yl]-acetic Acid Methyl Ester

Sources & evidence

ORD record
ord-a37067d96b374aed8bb24ec69f5d0d3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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