Acetate → (2-(5,5-Dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methanol
Reaction equation
[Al+3:74].[C:102]([O-:103])(=[O:104])[CH3:105].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:87]1[O:88][CH2:89][CH2:90][CH2:91]1.[CH3:22][C:23]1([CH3:24])[C:25]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)=[CH:35][CH2:36][CH2:37]1.[CH3:46][C:47]1([CH3:72])[CH2:48][CH2:49][CH:50]=[C:51]1[c:52]1[c:53](-[c:63]2[c:64]([F:71])[cH:65][cH:66][c:67]([O:69][CH3:70])[cH:68]2)[cH:54][cH:55][c:56]([C:58](=[O:59])[O:60][CH2:61][CH3:62])[cH:57]1.[CH3:92][CH2:93][O:94][CH2:95][CH3:96].[Cl:1][c:2]1[cH:3][c:4]([C:5]([O:6][CH2:7][CH3:8])=[O:9])[cH:10][cH:11][c:12]1-[c:13]1[cH:14][c:15]([O:16][CH3:17])[cH:18][cH:19][c:20]1[F:21].[H-:73].[H-:76].[H-:77].[H-:78].[K+:43].[K+:44].[K+:45].[Li+:75].[Na+:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH-:79].[OH2:86].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[Pd+2:101]>>[CH3:46][C:47]1([CH3:72])[CH2:48][CH2:49][CH:50]=[C:51]1[c:52]1[c:53](-[c:63]2[c:64]([F:71])[cH:65][cH:66][c:67]([O:69][CH3:70])[cH:68]2)[cH:54][cH:55][c:56]([CH2:58][OH:59])[cH:57]1Participants
17
Reactant 16
HCID 175Acetate2×
HCID 813Potassium Cation3×
HCID 923Sodium ion
HCID 961Hydroxide
HCID 962Water
HCID 1061Phosphate
HCID 3283Diethyl Ether
HCID 6228Dimethylformamide
HCID 8028Tetrahydrofuran
HCID 28486Lithium ion
HCID 104727Aluminum Cation
HCID 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-dioxaborolane
HCID 57706474Ethyl 2-chloro-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-carboxylate
HCID 67361144Ethyl 2-(5,5-dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-3dd21abdd9aa44e184da247c594ac318
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…