Ammonium → 1,1,1,3,3,3-Hexafluoro-2-(4-(2-(3-methoxybenzyl)-4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-2-propanol

HRID 92531Notes

Reaction equation

HRID 92531 reaction equation
[Br:64][c:65]1[cH:66][cH:67][c:68]([C:71]([C:72]([F:73])([F:74])[F:75])([C:76]([F:77])([F:78])[F:79])[OH:80])[cH:69][cH:70]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([S:13](=[O:14])(=[O:15])[c:16]3[s:17][cH:18][cH:19][cH:20]3)[CH2:10][CH2:11][NH:12]2)[cH:21][cH:22][cH:23]1.[CH3:58][C:59]([CH3:60])([O-:61])[CH3:62].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:24]1([P:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2-[c:38]2[c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]([CH:45]([CH3:46])[CH3:47])[cH:48][c:49]2[CH:50]([CH3:51])[CH3:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl-:88].[NH4+:89].[Na+:63].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]=[C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)[CH:138]=[CH:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:90].[Pd:91]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([S:13](=[O:14])(=[O:15])[c:16]3[s:17][cH:18][cH:19][cH:20]3)[CH2:10][CH2:11][N:12]2[c:65]2[cH:66][cH:67][c:68]([C:71]([C:72]([F:73])([F:74])[F:75])([C:76]([F:77])([F:78])[F:79])[OH:80])[cH:69][cH:70]2)[cH:21][cH:22][cH:23]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 232335702-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 66583112HCID 66583112, compound

Product 1

HCID 866703961,1,1,3,3,3-Hexafluoro-2-(4-(2-(3-methoxybenzyl)-4-(thiophen-2-ylsulfonyl)piperazin-1-yl)phenyl)-2-propanol

Sources & evidence

ORD record
ord-5cc9adcb5f5c438da51db2aadbf67c7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…