HRID1635108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCC(CC=C)(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID23555221

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(C(=O)O)C(CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID22288232

未命名化合物

收率 92.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21863450

未命名化合物

PROCEDURE

实验过程

A solution of compound 29 (300 mg, 0.54 mmol) in 50 ml TFA/CH2Cl2 (1:1) was stirred for 2 hr at ambient temperature, then concentrated under vacuum. Two cycles of toluene addition and removal of volatiles gave 250 mg of 30 as a white solid (92%) which was used in the next step without purification. ESI ES+=502.3 (M+1).

WORKUP

后处理

concentrationconcentrated under vacuum
additionTwo cycles of toluene addition and removal of volatiles

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e1099a2fc824150ac87587603896384
来源数据集: uspto-grants-2003_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06509333B2
来源说明: uspto-grants-2003_01

反应 SMILES

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