HRID2176016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78881

Ethyl 5-chloro-5-oxopentanoate

C7H11ClO3

结构：O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cc3ccncc3)cc1)CCCC2)c1cccc(CNC2CC2)c1

HCID90370914

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCC(=O)N(Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cc4ccncc4)cc2)CCCC3)c1)C1CC1

HCID90370281

未命名化合物

收率 69.2%

PROCEDURE

实验过程

By using 120 mg of 2-({3-[(cyclopropylamino)methyl]benzoyl}amino)-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and 120 mg of ethyl 5-chloro-5-oxopentanoate, the reaction similar to Preparation Example 13 was performed, thereby obtaining 105 mg of ethyl 5-(cyclopropyl {3-[(3-{[4-(pyridin-4-ylmethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzyl}amino)-5-oxopentanoate.

WORKUP

后处理

customthe reaction
customsimilar to Preparation Example 13

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a7d56be5f2f4463a1360f642bb35ad3
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09062032B2
来源说明: uspto-grants-2015_06

反应 SMILES

[CH:1]1([NH:4][CH2:5][C:6]2[CH:7]=[C:8]([CH:37]=[CH:38][CH:39]=2)[C:9]([NH:11][C:12]2[S:13][C:14]3[CH2:36][CH2:35][CH2:34][CH2:33][C:15]=3[C:16]=2[C:17]([NH:19][C:20]2[CH:25]=[CH:24][C:23]([CH2:26][C:27]3[CH:32]=[CH:31][N:30]=[CH:29][CH:28]=3)=[CH:22][CH:21]=2)=[O:18])=[O:10])[CH2:3][CH2:2]1.Cl[C:41](=[O:50])[CH2:42][CH2:43][CH2:44][C:45]([O:47][CH2:48][CH3:49])=[O:46]>>[CH:1]1([N:4]([CH2:5][C:6]2[CH:39]=[CH:38][CH:37]=[C:8]([C:9](=[O:10])[NH:11][C:12]3[S:13][C:14]4[CH2:36][CH2:35][CH2:34][CH2:33][C:15]=4[C:16]=3[C:17](=[O:18])[NH:19][C:20]3[CH:25]=[CH:24][C:23]([CH2:26][C:27]4[CH:28]=[CH:29][N:30]=[CH:31][CH:32]=4)=[CH:22][CH:21]=3)[CH:7]=2)[C:41](=[O:50])[CH2:42][CH2:43][CH2:44][C:45]([O:47][CH2:48][CH3:49])=[O:46])[CH2:2][CH2:3]1