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

HRID 163449Notes

Reaction equation

HRID 163449 reaction equation
[CH2:35]([CH3:36])[O:37][C:38]([CH2:39][CH2:40][c:41]1[cH:42][cH:43][c:44]([Br:47])[cH:45][cH:46]1)=[O:48].[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:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]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:44]3[cH:43][cH:42][c:41]([CH2:40][CH2:39][C:38]([O:37][CH2:35][CH3:36])=[O:48])[cH:46][cH:45]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 12731927Ethyl 3-(4-bromophenyl)propanoateHCID 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 673512303-(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-65c6a39fa0e1474eab6f60d3ba7ca1e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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