HRID1724224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID67055351

3-[Bromo(4-chlorophenyl)methyl]benzonitrile

C14H9BrClN

反应SMILES：CC(C)(F)C(c1cc(F)cc(-n2cnnc2)c1)C1CNC1.Cl

HCID67065977

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(F)C(c1cc(F)cc(-n2cnnc2)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID11420999

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

A sample of 135 mg (0.41 mmole) of 4-[3-(1-Azetidin-3-yl-2-fluoro-2-methylpropyl)-5-fluorophenyl]-4H-1,2,4-triazole hydrochloride, 211 mg (0.62 mmole) of 3-[bromo(4-chlorophenyl)methyl]benzonitrile and 181 uL (1.025 mmole) of diisopropylethylamine in 5 mL of dry CH3CN was heated at reflux for 3 h.

WORKUP

后处理

temperatureat reflux for 3 h.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-57bd896e7de84a6d9440e9e02aa4f6ff
来源数据集: uspto-grants-2009_02
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07485732B2
来源说明: uspto-grants-2009_02

反应SMILES

Cl.[NH:2]1[CH2:5][CH:4]([CH:6]([C:11]2[CH:12]=[C:13]([N:18]3[CH:22]=[N:21][N:20]=[CH:19]3)[CH:14]=[C:15]([F:17])[CH:16]=2)[C:7]([F:10])([CH3:9])[CH3:8])[CH2:3]1.Br[CH:24]([C:33]1[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=1)[C:25]1[CH:26]=[C:27]([CH:30]=[CH:31][CH:32]=1)[C:28]#[N:29].C(N(C(C)C)CC)(C)C>CC#N>[Cl:39][C:36]1[CH:35]=[CH:34][C:33]([CH:24]([N:2]2[CH2:3][CH:4]([CH:6]([C:11]3[CH:12]=[C:13]([N:18]4[CH:19]=[N:20][N:21]=[CH:22]4)[CH:14]=[C:15]([F:17])[CH:16]=3)[C:7]([F:10])([CH3:9])[CH3:8])[CH2:5]2)[C:25]2[CH:26]=[C:27]([CH:30]=[CH:31][CH:32]=2)[C:28]#[N:29])=[CH:38][CH:37]=1