Triphenylphosphine → 1-[4'-(4-Allyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

HRID 113617Notes

Reaction equation

HRID 113617 reaction equation
[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[C:22]1([c:25]2[cH:26][cH:27][c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][cH:30]2)[CH2:23][CH2:24]1.[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]([CH3:16])[n:6][o:7][c:8]1-[c:9]1[cH:10][cH:11][c:12]([Br:15])[cH:13][cH:14]1.[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]([CH3:16])[n:6][o:7][c:8]1-[c:9]1[cH:10][cH:11][c:12](-[c:28]2[cH:27][cH:26][c:25]([C:22]3([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH2:23][CH2:24]3)[cH:30][cH:29]2)[cH:13][cH:14]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 66577235HCID 66577235, compound

Product 1

HCID 665772401-[4'-(4-Allyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-82f5b9810e5b4a0e9ab1a0a29bce01e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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