Ethanol → 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-[(2'-isopropoxy-5'-methylbiphenyl-4-yl)methyl]benzamide
Reaction equation
[Br:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][NH:27][C:28]([c:29]2[cH:30][cH:31][c:32](-[c:35]3[o:36][c:37]4[c:38]([n:39]3)[cH:40][c:41]([C:47]#[N:48])[cH:42][c:43]4[CH:44]([CH3:45])[CH3:46])[cH:33][cH:34]2)=[O:49])[cH:50][cH:51]1.[CH3:137][CH2:138][OH:139].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:7]([CH3:8])([CH3:9])[O:10][c:11]1[c:12]([B:18]([OH:19])[OH:20])[cH:13][c:14]([CH3:17])[cH:15][cH:16]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:52].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[CH:7]([CH3:8])([CH3:9])[O:10][c:11]1[c:12](-[c:22]2[cH:23][cH:24][c:25]([CH2:26][NH:27][C:28]([c:29]3[cH:30][cH:31][c:32](-[c:35]4[o:36][c:37]5[c:38]([n:39]4)[cH:40][c:41]([C:47]#[N:48])[cH:42][c:43]5[CH:44]([CH3:45])[CH3:46])[cH:33][cH:34]3)=[O:49])[cH:50][cH:51]2)[cH:13][c:14]([CH3:17])[cH:15][cH:16]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e35ad99d9687444fab5661422d3f2ae8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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