Ammonium → 2-Methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]([CH2:9][OH:10])([OH:11])[CH3:12])[cH:13][cH:14]1.[C:33]([P:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1-[c:45]1[c:46]([CH:47]([CH3:48])[CH3:49])[cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]1[CH:57]([CH3:58])[CH3:59])([CH3:60])([CH3:61])[CH3:62].[CH3:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[CH3:63][C:64]([CH3:65])([O-:66])[CH3:67].[Cl-:69].[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([O:22][CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:29][cH:30]1)([F:31])[F:32].[NH4+:70].[Na+:68].[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.[Pd:71].[Pd:72]>>[c:2]1([N:26]2[CH2:25][CH2:24][CH:23]([O:22][c:21]3[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:31])[F:32])[cH:30][cH:29]3)[CH2:28][CH2:27]2)[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]([CH2:9][OH:10])([OH:11])[CH3:12])[cH:13][cH:14]1Participants
11
Reactant 10
HCID 223Ammonium
HCID 312Chloride
HCID 923Sodium ion
HCID 1140Toluene
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 45749132-Methylpropan-2-olate
HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane
HCID 161154394-[4-(Trifluoromethoxy)phenoxy]piperidine
HCID 710593223-(4-Bromophenoxy)-2-methylpropane-1,2-diolProduct 1
Sources & evidence
- ORD record
- ord-2b564a8d0a8c47959d769dd7ac9a1fc1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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