Sodium ion → Tert-butyl 4-[3-bromo-5-(2-ethylbutoxy)-2-methylphenyl]piperazine-1-carboxylate
Reaction equation
[Br:1][c:2]1[c:3]([CH3:16])[c:4]([Br:15])[cH:5][c:6]([O:8][CH2:9][CH:10]([CH2:11][CH3:12])[CH2:13][CH3:14])[cH:7]1.[C:69](=[O:70])([O:71][C:72]([CH3:73])([CH3:74])[CH3:75])[N:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1.[CH3:63][C:64]([CH3:65])([O-:66])[CH3:67].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[Na+:68].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96].[cH:17]1[cH:18][cH:19][c:20]([P:21]([c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[c:31]2-[c:32]2[c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40][c:41]2[P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62]1>>[c:2]1([N:79]2[CH2:78][CH2:77][N:76]([C:69](=[O:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])[CH2:81][CH2:80]2)[c:3]([CH3:16])[c:4]([Br:15])[cH:5][c:6]([O:8][CH2:9][CH:10]([CH2:11][CH3:12])[CH2:13][CH3:14])[cH:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-2349084764884442b4adbea9cbc6bd4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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