Triphenylphosphine → [1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-isoxazol-4-yl]-methanone

HRID 1548230Notes

Reaction equation

HRID 1548230 reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:15])[Cl:16])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[F:18][C:19]([c:20]1[cH:21][c:22]([CH2:23][n:24]2[n:25][n:26][c:27]([Sn:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[c:28]2-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:48][c:49]([C:51]([F:52])([F:53])[F:54])[cH:50]1)([F:55])[F:56].[Pd:63]([Cl:64])[Cl:65].[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:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:15])[c:27]2[n:26][n:25][n:24]([CH2:23][c:22]3[cH:21][c:20]([C:19]([F:18])([F:55])[F:56])[cH:50][c:49]([C:51]([F:52])([F:53])[F:54])[cH:48]3)[c:28]2-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27365813-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chlorideHCID 866012141-(3,5-bis-trifluoromethyl-benzyl)-4-(tri-n-butylstannanyl)-5-phenyl-1H-[1,2,3]triazole

Product 1

HCID 58804047[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-isoxazol-4-yl]-methanone

Sources & evidence

ORD record
ord-97712935e6374282b7221332e399c5ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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