Hydrochloric Acid → 2-tert-Butyl-7-nitro-6-phenyl-1,3-benzoxazole-4-carboxylic Acid
Reaction equation
[Br:1][c:2]1[c:3]([N+:18](=[O:19])[O-:20])[c:4]2[c:5]([n:6][c:7]([C:9]([CH3:10])([CH3:11])[CH3:12])[o:8]2)[c:13]([C:15](=[O:16])[OH:17])[cH:14]1.[CH3:124][CH2:125][O:126][C:127](=[O:128])[CH3:129].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[ClH:36].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:3]([N+:18](=[O:19])[O-:20])[c:4]2[c:5]([n:6][c:7]([C:9]([CH3:10])([CH3:11])[CH3:12])[o:8]2)[c:13]([C:15](=[O:16])[OH:17])[cH:14]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-17b3a64151a543bab4acdd61302c2c0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…