Acetate → (4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HRID 2319278Notes

Reaction equation

HRID 2319278 reaction equation
[C:102]([O-:103])(=[O:104])[CH3:105].[C:107]([O-:108])(=[O:109])[CH3:110].[C:90](=[O:91])([OH:92])[O-:93].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:73])[c:58]([C:61]#[C:62][C:63]2([O:68][Si:69]([CH3:70])([CH3:71])[CH3:72])[CH2:64][CH2:65][CH2:66][CH2:67]2)[cH:59][cH:60]1)[c:74]1[cH:75][c:76]([CH3:89])[c:77]([B:80]2[O:81][C:82]([CH3:83])([CH3:84])[C:85]([CH3:86])([CH3:87])[O:88]2)[cH:78][cH:79]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].[CH3:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]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.[K+:47].[K+:48].[K+:49].[Na+:94].[OH2:111].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:106]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:77]2[c:76]([CH3:89])[cH:75][c:74]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:55]3[cH:56][c:57]([CH3:73])[c:58]([C:61]#[C:62][C:63]4([O:68][Si:69]([CH3:70])([CH3:71])[CH3:72])[CH2:64][CH2:65][CH2:66][CH2:67]4)[cH:59][cH:60]3)[cH:79][cH:78]2)[cH:9][cH:10]1)=[O:12]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 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 577089762-(4-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Product 1

HCID 57709095(4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

Sources & evidence

ORD record
ord-a43ce994de6c4684b86f8840b48128b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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