Acetate → Methyl 2-[3-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]phenyl]-5-fluorophenyl]acetate
Reaction equation
[C:103]([O-:104])(=[O:105])[CH3:106].[C:86](=[O:87])([OH:88])[O-:89].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:51]([CH3:52])[C:53]([CH:54]=[CH:55][c:56]1[c:57]([CH3:82])[cH:58][c:59]([C:62]([CH2:63][CH3:64])([c:65]2[cH:66][cH:67][c:68]([B:71]3[O:72][C:73]([CH3:74])([CH3:75])[C:76]([CH3:77])([CH3:78])[O:79]3)[cH:69][cH:70]2)[CH2:80][CH3:81])[cH:60][cH:61]1)([CH2:83][CH3:84])[OH:85].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Cl:12])[cH:8][c:9]([F:11])[cH:10]1)=[O:13].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[CH:14]1([P:15]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2-[c:28]2[c:29]([O:30][CH3:31])[cH:32][cH:33][cH:34][c:35]2[O:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[K+:48].[K+:49].[K+:50].[Na+:90].[OH2:107].[P:43]([O-:44])([O-:45])([O-:46])=[O:47].[Pd+2:102]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:68]2[cH:67][cH:66][c:65]([C:62]([c:59]3[cH:58][c:57]([CH3:82])[c:56]([CH:55]=[CH:54][C:53]([CH2:51][CH3:52])([CH2:83][CH3:84])[OH:85])[cH:61][cH:60]3)([CH2:63][CH3:64])[CH2:80][CH3:81])[cH:70][cH:69]2)[cH:8][c:9]([F:11])[cH:10]1)=[O:13]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 57443518(3-chloro-5-fluoro-phenyl)-acetic Acid Methyl Ester
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-066221713177450c9e7804ec68fa814e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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