Triphenylphosphine → 1-{4'-[4-(1-Hydroxy-2,2-dimethyl-but-3-enyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

HRID 1134869Notes

Reaction equation

HRID 1134869 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:14]([C:15]([CH:16]=[CH2:17])([CH3:18])[CH3:19])[OH:20])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1.[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[C:26]1([c:29]2[cH:30][cH:31][c:32]([B:35]3[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]3)[cH:33][cH:34]2)[CH2:27][CH2:28]1.[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([C:26]3([C:24]([O:23][CH2:21][CH3:22])=[O:25])[CH2:27][CH2:28]3)[cH:34][cH:33]2)[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:14]([C:15]([CH:16]=[CH2:17])([CH3:18])[CH3:19])[OH:20])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 53217182Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylateHCID 665821141-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-2,2-dimethyl-but-3-en-1-ol

Product 1

HCID 665773901-{4'-[4-(1-Hydroxy-2,2-dimethyl-but-3-enyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-a2f2c119ae3d4a68abf9666f99c56941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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