Sodium ion → Tert-butyl 4-(3-bromo-5-hydroxy-2-methylphenyl)piperazine-1-carboxylate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([OH:10])[cH:5][c:6]([Br:9])[c:7]1[CH3:8].[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[N:11]1([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1.[Na+:29].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[c:2]1([N:14]2[CH2:13][CH2:12][N:11]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16][CH2:15]2)[cH:3][c:4]([OH:10])[cH:5][c:6]([Br:9])[c:7]1[CH3:8]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-27910400470d4c9591534c1d05c06620
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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