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

HRID 1149299Notes

Reaction equation

HRID 1149299 reaction equation
[Br:35][c:36]1[c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][cH:44][cH:45]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]([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:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]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:36]3[c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43][cH:44][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 11894Methyl 2-bromobenzoateHCID 24290Palladium ChlorideHCID 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 673525824'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-efa650f4d2c84448ba4dc8182c13c748
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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