Acetate → (2-(5,5-Dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methanol

HRID 88567Notes

Reaction equation

HRID 88567 reaction equation
[Al+3:53].[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][C:2]1([CH3:3])[C:4]([B:5]2[O:6][C:7]([CH3:8])([CH3:9])[C:10]([CH3:11])([CH3:12])[O:13]2)=[CH:14][CH2:15][CH2:16]1.[CH3:25][C:26]1([CH3:51])[CH2:27][CH2:28][CH:29]=[C:30]1[c:31]1[c:32](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[cH:33][cH:34][c:35]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:36]1.[CH3:71][CH2:72][O:73][CH2:74][CH3:75].[H-:52].[H-:55].[H-:56].[H-:57].[K+:22].[K+:23].[K+:24].[Li+:54].[Na+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH-:58].[OH2:65].[P:17]([O-:18])([O-:19])([O-:20])=[O:21].[Pd+2:80]>>[CH3:25][C:26]1([CH3:51])[CH2:27][CH2:28][CH:29]=[C:30]1[c:31]1[c:32](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[cH:33][cH:34][c:35]([CH2:37][OH:38])[cH:36]1

Participants

16

Reactant 15

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1061PhosphateHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 166653Hydride4×HCID 574675872-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 67361144Ethyl 2-(5,5-dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-carboxylate

Product 1

HCID 57705550(2-(5,5-Dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methanol

Sources & evidence

ORD record
ord-55fa08aa06db431ab5dd88e1fc39145b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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