Bromide ion → 1-(2,4-Difluorophenyl)piperazine

HRID 146195Notes

Reaction equation

[Br-:10].[CH2:11]1[CH2:12][NH:13][CH2:14][CH2:15][NH:16]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[F:1][c:2]1[c:3]([Br:9])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:22].[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].[cH:23]1[cH:24][cH:25][c:26]([P:27]([c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68]1>>[F:1][c:2]1[c:3]([N:13]2[CH2:12][CH2:11][NH:16][CH2:15][CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

Reactant 9

HCID 23938Palladium2×

HCID 676741-Bromo-2,4-difluorobenzene

HCID 95417Dibenzylidene acetone3×

HCID 634876Binap, (A+-)-

HCID 45749132-Methylpropan-2-olate

Product 1

HCID 27346371-(2,4-Difluorophenyl)piperazine

Sources & evidence

ORD record: ord-51e1a48ae7fd417c9cb1332a83a49fc3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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