Acetate → 1-(4'-{3-Methyl-4-[6-bromo-pyridin-2-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
Reaction equation
[Br:28][c:29]1[n:30][c:31]([Br:35])[cH:32][cH:33][cH:34]1.[C:36](=[O:37])([O-:38])[O-:39].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH2:27])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[CH2:88]1[O:89][CH2:90][CH2:91][CH2:92]1.[CH3:93][CH2:94][O:95][C:96]([CH3:97])=[O:98].[Cs+:40].[Cs+:41].[O-:100][C:101]([CH3:102])=[O:103].[O-:104][C:105]([CH3:106])=[O:107].[Pd+2:99].[cH:42]1[cH:43][cH:44][c:45]([P:46]([c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[c:56]2-[c:57]2[c:58]3[c:59]([cH:60][cH:61][cH:62][cH:63]3)[cH:64][cH:65][c:66]2[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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH:27][c:31]5[n:30][c:29]([Br:28])[cH:34][cH:33][cH:32]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1Participants
10
Reactant 9
HCID 175Acetate2×
HCID 8028Tetrahydrofuran
HCID 8857Ethyl Acetate
HCID 122742,6-Dibromopyridine
HCID 19660Carbonate Ion
HCID 104967Cesium cation2×
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 634876Binap, (A+-)-
HCID 665771951-[4'-(4-Amino-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl esterProduct 1
Sources & evidence
- ORD record
- ord-750df951fd4a4c12ab0681d05cdcace9
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
Loading…