Hydrochloric Acid → 1,1,1-Trifluoro-2-[4-(2-methyl-4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]propan-2-ol
Reaction equation
[Br:17][c:18]1[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])[cH:22][cH:23]1.[CH3:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[CH3:2][CH:3]1[NH:4][CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([O:53][CH:54]([CH3:55])[CH3:56])[cH:57][cH:58][cH:59][c:60]2[O:61][CH:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[ClH:1].[Na+:36].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:70].[Pd:71].[Pd:72]>>[CH3:2][CH:3]1[N:4]([c:18]2[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([CH3:29])[OH:30])[cH:22][cH:23]2)[CH2:5][CH2:6][N:7]([S:9](=[O:10])(=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH2:8]1Participants
11
Reactant 10
HCID 313Hydrochloric Acid
HCID 923Sodium ion
HCID 962Water
HCID 1140Toluene
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 45749132-Methylpropan-2-olate
HCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
HCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol
HCID 601376703-Methyl-1-thiophen-2-ylsulfonylpiperazineProduct 1
Sources & evidence
- ORD record
- ord-49bfbcc3203943c2bc1ff8a3834c1255
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…