Sodium ion → 2-[4-(2,4-Dibenzylpiperazin-1-yl)phenyl]-1,1,1-trifluoropropan-2-ol
Reaction equation
[Br:21][c:22]1[cH:23][cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])([CH3:33])[OH:34])[cH:26][cH:27]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:11][CH2:12][CH2:13]1.[CH3:68][C:69]([CH3:70])([O-:71])[CH3:72].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH:52]([CH3:53])[CH3:54])[cH:55][cH:56][cH:57][c:58]2[O:59][CH:60]([CH3:61])[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Na+:73].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[N:11]([c:22]2[cH:23][cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])([CH3:33])[OH:34])[cH:26][cH:27]2)[CH2:12][CH2:13]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fa7b6829b20f436eb2a6bdb373b3885a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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