HRID1725821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cl.Cl.OC1(C(CN2CCNCC2)c2ccc(OCc3ccccc3C(F)(F)F)c(Cl)c2)CCCCC1

HCID86599408

未命名化合物

结构：CN1CCN(CCC2CCCCC2(O)c2ccc(OCc3ccccc3C(F)(F)F)c(Cl)c2)CC1.Cl.Cl

HCID86599964

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CC(c2ccc(OCc3ccccc3C(F)(F)F)c(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl

HCID86599963

未命名化合物

PROCEDURE

实验过程

In an analogous manner to Example 24, 1-[1-(3-chloro-4-{[2-(trifluoromethyl)benzyl]oxy}phenyl)-2-(4-methylpiperazin-1-yl)ethylcyclohexanol dihydrochloride was prepared from 1-[1-(3-chloro-4-{[2-(trifluoromethyl)benzyl]oxy}phenyl)-2-piperazin-1-ylethyl]cyclohexanol dihydrochloride (See Example 421). MS (ESI) m/z 511; HRMS: calcd for C27H34ClF3N2O2+H+, 511.23336; found (ESI, [M+H]+), 511.2314.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6c92554a4f243fa87f36c754aabf6d5
来源数据集: uspto-grants-2009_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07491723B2
来源说明: uspto-grants-2009_02

反应 SMILES

Cl.Cl.[Cl:3][C:4]1C=C(C2(O)CCCCC2CCN2CCN(C)CC2)C=CC=1OCC1C=CC=CC=1C(F)(F)F.Cl.Cl.[Cl:40][C:41]1[CH:42]=[C:43]([CH:59]([C:67]2([OH:73])[CH2:72][CH2:71][CH2:70][CH2:69][CH2:68]2)[CH2:60][N:61]2[CH2:66][CH2:65][NH:64][CH2:63][CH2:62]2)[CH:44]=[CH:45][C:46]=1[O:47][CH2:48][C:49]1[CH:54]=[CH:53][CH:52]=[CH:51][C:50]=1[C:55]([F:58])([F:57])[F:56]>>[ClH:3].[ClH:40].[Cl:40][C:41]1[CH:42]=[C:43]([CH:59]([C:67]2([OH:73])[CH2:72][CH2:71][CH2:70][CH2:69][CH2:68]2)[CH2:60][N:61]2[CH2:62][CH2:63][N:64]([CH3:4])[CH2:65][CH2:66]2)[CH:44]=[CH:45][C:46]=1[O:47][CH2:48][C:49]1[CH:54]=[CH:53][CH:52]=[CH:51][C:50]=1[C:55]([F:57])([F:58])[F:56]