Triphenylphosphine → 4-(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-butyric acid ethyl ester

HRID 96310Notes

Reaction equation

HRID 96310 reaction equation
[CH2:35]([CH3:36])[O:37][C:38]([CH2:39][CH2:40][CH2:41][c:42]1[cH:43][cH:44][c:45]([Br:48])[cH:46][cH:47]1)=[O:49].[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:33])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[cH:22][cH:23]2)=[O:34])[cH:4][cH:5][cH:6][cH:7]1.[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([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][cH:88][cH:89][cH:90]1>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:33])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21](-[c:45]3[cH:44][cH:43][c:42]([CH2:41][CH2:40][CH2:39][C:38]([O:37][CH2:35][CH3:36])=[O:49])[cH:47][cH:46]3)[cH:22][cH:23]2)=[O:34])[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 12870375Ethyl 4-(4-bromophenyl)butanoateHCID 67350448{3-Methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester

Product 1

HCID 673508294-(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-butyric acid ethyl ester

Sources & evidence

ORD record
ord-4f6deb9b030f4ff3a950eae50dbaad8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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