Acetate → Methyl 2-[3-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]phenyl]-4-methoxyphenyl]acetate
Reaction equation
[C:104]([O-:105])(=[O:106])[CH3:107].[C:87](=[O:88])([OH:89])[O-:90].[C:99]([O-:100])(=[O:101])[CH3:102].[CH2:52]([CH3:53])[C:54]([CH:55]=[CH:56][c:57]1[c:58]([CH3:83])[cH:59][c:60]([C:63]([CH2:64][CH3:65])([c:66]2[cH:67][cH:68][c:69]([B:72]3[O:73][C:74]([CH3:75])([CH3:76])[C:77]([CH3:78])([CH3:79])[O:80]3)[cH:70][cH:71]2)[CH2:81][CH3:82])[cH:61][cH:62]1)([CH2:84][CH3:85])[OH:86].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Br:13])[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:14].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([O:31][CH3:32])[cH:33][cH:34][cH:35][c:36]2[O:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[K+:49].[K+:50].[K+:51].[Na+:91].[OH2:108].[P:44]([O-:45])([O-:46])([O-:47])=[O:48].[Pd+2:103]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:69]2[cH:68][cH:67][c:66]([C:63]([c:60]3[cH:59][c:58]([CH3:83])[c:57]([CH:56]=[CH:55][C:54]([CH2:52][CH3:53])([CH2:84][CH3:85])[OH:86])[cH:62][cH:61]3)([CH2:64][CH3:65])[CH2:81][CH3:82])[cH:71][cH:70]2)[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:14]Participants
12
Reactant 11
HCID 175Acetate2×
HCID 769Bicarbonate Ion
HCID 813Potassium Cation3×
HCID 923Sodium ion
HCID 962Water
HCID 1061Phosphate
HCID 1140Toluene
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
HCID 12717575Methyl 2-(3-bromo-4-methoxyphenyl)acetate
HCID 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-olProduct 1
Sources & evidence
- ORD record
- ord-09dcc9588b184ddaa280955f85149ee1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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