HRID400787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59495813

未命名化合物

结构：CC(C)(C)OC(=O)CCN1CCc2ccc(C(N)=NO)cc2C1

HCID76787417

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)OC(C)(C)C)CC4)no2)cc1C(F)(F)F

HCID67400005

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

Title compound was prepared following general procedure 3 starting from Intermediate 24 (168 mg; 0.6 mmol) and Intermediate 25 (182 mg; 0.6 mmol). The reaction mixture was diluted with EtOAc, washed with water and brine and evaporated under vacuum. Purification by silica column chromatography (c-Hex/(DCM/EtOAc 1:1), 90/10 to 50/50) afforded the title compound as a yellow oil. LC/MS (method B): 565.2 (M+H)+. HPLC (Method A) Rt 5.00 min (Purity: 95.4%).

WORKUP

后处理

customTitle compound was prepared
washwashed with water and brine
customevaporated under vacuum
customPurification by silica column chromatography (c-Hex/(DCM/EtOAc 1:1), 90/10 to 50/50)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c5b5ba3e8224871a5b1980e630340d0
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08741923B2
来源说明: uspto-grants-2014_06

反应 SMILES

[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]([OH:16])=O)=[CH:10][C:9]=1[C:17]([F:20])([F:19])[F:18].[NH2:21][C:22](=[N:42]O)[C:23]1[CH:32]=[C:31]2[C:26]([CH2:27][CH2:28][N:29]([CH2:33][CH2:34][C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:30]2)=[CH:25][CH:24]=1>CCOC(C)=O>[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]2[O:16][N:21]=[C:22]([C:23]3[CH:32]=[C:31]4[C:26]([CH2:27][CH2:28][N:29]([CH2:33][CH2:34][C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:30]4)=[CH:25][CH:24]=3)[N:42]=2)=[CH:10][C:9]=1[C:17]([F:20])([F:18])[F:19]