Sodium ion → 1,1,1-Trifluoro-2-[4-[2-[(3-methylmorpholin-4-yl)methyl]-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol

HRID 1134151Notes

Reaction equation

HRID 1134151 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([CH3:35])[OH:36])[cH:28][cH:29]1.[CH3:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:8][CH:9]1[NH:10][CH2:11][CH2:12][N:13]([S:15](=[O:16])(=[O:17])[c:18]2[s:19][cH:20][cH:21][n:22]2)[CH2:14]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH:60]([CH3:61])[CH3:62])[cH:63][cH:64][cH:65][c:66]2[O:67][CH:68]([CH3:69])[CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Na+:42].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77]>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:8][CH:9]1[N:10]([c:24]2[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([CH3:35])[OH:36])[cH:28][cH:29]2)[CH2:11][CH2:12][N:13]([S:15](=[O:16])(=[O:17])[c:18]2[s:19][cH:20][cH:21][n:22]2)[CH2:14]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenylHCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-olHCID 771485013-Methyl-4-[[4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine

Product 1

HCID 764623211,1,1-Trifluoro-2-[4-[2-[(3-methylmorpholin-4-yl)methyl]-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol

Sources & evidence

ORD record
ord-ef45fb65421048d8a68b40343a415885
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…