Hydrochloric Acid → 7-Bromo-2-tert-butyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Reaction equation
[Br:1][c:2]1[c:3]([I:18])[c:4]([CH3:17])[c:5]([C:15]#[N:16])[c:6]2[n:7][c:8]([C:11]([CH3:12])([CH3:13])[CH3:14])[o:9][c:10]12.[CH3:117][N:118]([CH3:119])[CH:120]=[O:121].[ClH:39].[K+:36].[K+:37].[K+:38].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[c:19]1([B:25]2[O:26][CH2:27][CH2:28][CH2:29][O:30]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[Br:1][c:2]1[c:3](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:4]([CH3:17])[c:5]([C:15]#[N:16])[c:6]2[n:7][c:8]([C:11]([CH3:12])([CH3:13])[CH3:14])[o:9][c:10]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-607bafb7a0844ed7b4fb06a0d55b4945
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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