HRID2203393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID51892082

未命名化合物

结构：COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)c2n[nH]c(=O)n2[C@@H]1c1ccc(C#N)cc1CCCN(C)C

HCID76284943

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)c2n[nH]c(=O)n2[C@@H]1c1ccc(C#N)cc1CCC[N+](C)(C)CCCS(C)(=O)=O.O=C[O-]

HCID76284989

未命名化合物

收率 65.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

CONDITIONS

反应条件

温度: 90 °C

PROCEDURE

实验过程

To a solution of Example 12 (150 mg, 0.28 mmol) in MeCN (2 mL) was added 1-bromo-3-methanesulfonyl-propane (225 mg, 1.12 mmol). The resulting mixture was heated at 90° C. for 40 minutes using microwave irradiation. The solvent was removed in vacuo and the resultant residue was purified by reverse phase chromatography (MDAP), giving the title compound as an off-white solid (65 mg)

WORKUP

后处理

custommicrowave irradiation
customThe solvent was removed in vacuo
customthe resultant residue was purified by reverse phase chromatography (MDAP)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e463bc89a36e4ad39ac774f7e77172df
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09365577B2
来源说明: uspto-grants-2016_06

反应 SMILES

[CH3:1][O:2][C:3]([C:5]1[C@@H:10]([C:11]2[CH:16]=[CH:15][C:14]([C:17]#[N:18])=[CH:13][C:12]=2[CH2:19][CH2:20][CH2:21][N:22]([CH3:24])[CH3:23])[N:9]2[C:25](=[O:28])[NH:26][N:27]=[C:8]2[N:7]([C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([C:35]([F:38])([F:37])[F:36])[CH:30]=2)[C:6]=1[CH3:39])=[O:4].Br[CH2:41][CH2:42][CH2:43][S:44]([CH3:47])(=[O:46])=[O:45]>CC#N>[CH:3]([O-:4])=[O:2].[C:17]([C:14]1[CH:15]=[CH:16][C:11]([C@H:10]2[N:9]3[C:25](=[O:28])[NH:26][N:27]=[C:8]3[N:7]([C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([C:35]([F:37])([F:36])[F:38])[CH:30]=3)[C:6]([CH3:39])=[C:5]2[C:3]([O:2][CH3:1])=[O:4])=[C:12]([CH2:19][CH2:20][CH2:21][N+:22]([CH2:41][CH2:42][CH2:43][S:44]([CH3:47])(=[O:46])=[O:45])([CH3:24])[CH3:23])[CH:13]=1)#[N:18]