HRID1696943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID11521263

(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE

C10H18N2O2

结构：CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(Cl)c(F)cc2c1=O

HCID13937202

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c(F)cc2c1=O

HCID67274956

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

A solution of EXAMPLE 7F (500 mg), tert-butyl (1S,4S)-(−)-2,5-diazabicyclo(2.2.1)heptane-2-carboxylate (0.259 g), and diisopropylethylamine (0.622 mL) in acetonitrile (11.9 mL) was heated at 50° C. for 18 hours then cooled, diluted with dichloromethane, washed with saturated ammonium chloride and brine, and dried (MgSO4), filtered, and concentrated; and the concentrate was recrystallized from diethyl ether.

WORKUP

后处理

temperaturethen cooled
washwashed with saturated ammonium chloride and brine
dry with materialdried (MgSO4)
filtrationfiltered
concentrationconcentrated
customand the concentrate was recrystallized from diethyl ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96b50a1a551c4ff2a30e5e398edce182
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08163769B2
来源说明: uspto-grants-2012_04

反应 SMILES

Cl[C:2]1[N:11]=[C:10]2[C:5]([C:6](=[O:28])[C:7]([C:23]([O:25][CH2:26][CH3:27])=[O:24])=[CH:8][N:9]2[CH2:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:14]=2[O:21][CH3:22])=[CH:4][C:3]=1[F:29].[C@H:30]12[CH2:36][C@H:33]([NH:34][CH2:35]1)[CH2:32][N:31]2[C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38].C(N(C(C)C)CC)(C)C>C(#N)C.ClCCl>[C:40]([O:39][C:37]([N:31]1[CH2:32][C@@H:33]2[CH2:36][C@H:30]1[CH2:35][N:34]2[C:2]1[N:11]=[C:10]2[C:5]([C:6](=[O:28])[C:7]([C:23]([O:25][CH2:26][CH3:27])=[O:24])=[CH:8][N:9]2[CH2:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:14]=2[O:21][CH3:22])=[CH:4][C:3]=1[F:29])=[O:38])([CH3:43])([CH3:41])[CH3:42]