Sodium ion → Tert-butyl 4-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-1-piperazinecarboxylate

HRID 679613Notes

Reaction equation

HRID 679613 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1.[C:15](=[O:16])([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[N:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[CH3:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[c:49]([O:50][CH:51]([CH3:52])[CH3:53])[cH:54][cH:55][cH:56][c:57]2[O:58][CH:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Na+:33].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH2:67].[Pd:68].[Pd:69]>>[c:2]1([N:25]2[CH2:24][CH2:23][N:22]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:27][CH2:26]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 143452tert-Butyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenylHCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 66582454Tert-butyl 4-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-1-piperazinecarboxylate

Sources & evidence

ORD record
ord-b86ec5dd2119415d9af0b5121b3981e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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