HRID2099321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8821

Ethyl acrylate

C5H8O2

HCID23665649

Lithium perchlorate

ClLiO4

结构：COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12

HCID66859962

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN1C(C)CN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4Cl)cn(C4CC4)c3c2OC)CC1C.Cl

HCID68977399

未命名化合物

PROCEDURE

实验过程

150 mg of the compound from Example 39A are provided with 4 eq. of lithium perchlorate and ethyl acrylate in excess (approximately 400 μl) is added. The suspension is stirred at RT for 12 h and then purified directly via preparative HPLC (method 6). 79 mg (42% of theory) of the title compound are obtained.

WORKUP

后处理

additionis added
custompurified directly via preparative HPLC (method 6)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a420a2235da40428312d5f8857998d5
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07569563B2
来源说明: uspto-grants-2009_08

反应 SMILES

[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:24])=[C:11]([N:16]4[CH2:21][CH:20]([CH3:22])[NH:19][CH:18]([CH3:23])[CH2:17]4)[C:12]=3[O:14][CH3:15])[C:7](=[O:25])[C:6]([C:26]([NH:28][CH2:29][C:30]3[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][C:31]=3[Cl:37])=[O:27])=[CH:5]2)[CH2:3][CH2:2]1.Cl([O-])(=O)(=O)=O.[Li+].[C:44]([O:48][CH2:49][CH3:50])(=[O:47])[CH:45]=[CH2:46]>>[ClH:36].[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:24])=[C:11]([N:16]4[CH2:17][CH:18]([CH3:23])[N:19]([CH2:46][CH2:45][C:44]([O:48][CH2:49][CH3:50])=[O:47])[CH:20]([CH3:22])[CH2:21]4)[C:12]=3[O:14][CH3:15])[C:7](=[O:25])[C:6]([C:26]([NH:28][CH2:29][C:30]3[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][C:31]=3[Cl:37])=[O:27])=[CH:5]2)[CH2:3][CH2:2]1