Acetate → Methyl 2-[4-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]phenyl]phenyl]acetate

HRID 1135405Notes

Reaction equation

HRID 1135405 reaction equation
[C:93]([O-:94])(=[O:95])[CH3:96].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:50]([CH3:51])[C:52]([CH:53]=[CH:54][c:55]1[c:56]([CH3:81])[cH:57][c:58]([C:61]([CH2:62][CH3:63])([c:64]2[cH:65][cH:66][c:67]([B:70]3[O:71][C:72]([CH3:73])([CH3:74])[C:75]([CH3:76])([CH3:77])[O:78]3)[cH:68][cH:69]2)[CH2:79][CH3:80])[cH:59][cH:60]1)([CH2:82][CH3:83])[OH:84].[CH3:38][O:39][C:40]([CH2:41][c:42]1[cH:43][cH:44][c:45]([Br:48])[cH:46][cH:47]1)=[O:49].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21][c:22]2[O:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[K+:35].[K+:36].[K+:37].[OH2:85].[P:30]([O-:31])([O-:32])([O-:33])=[O:34].[Pd+2:97]>>[CH3:38][O:39][C:40]([CH2:41][c:42]1[cH:43][cH:44][c:45](-[c:67]2[cH:66][cH:65][c:64]([C:61]([c:58]3[cH:57][c:56]([CH3:81])[c:55]([CH:54]=[CH:53][C:52]([CH2:50][CH3:51])([CH2:82][CH3:83])[OH:84])[cH:60][cH:59]3)([CH2:62][CH3:63])[CH2:79][CH3:80])[cH:69][cH:68]2)[cH:46][cH:47]1)=[O:49]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 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 670650643-Ethyl-1-(4-{1-ethyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-1-penten-3-ol

Product 1

HCID 67065062Methyl 2-[4-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]phenyl]phenyl]acetate

Sources & evidence

ORD record
ord-77af473ea4e1478796d652df1e96322a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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