HRID1986326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC1(CCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CCNCC1.Cl.Cl

HCID68855759

未命名化合物

HCID68856742

未命名化合物

结构：CNC(=O)c1cccc2sc(-c3nc(Cl)ncc3Cl)cc12

HCID86625382

未命名化合物

PRODUCTS

生成物

结构：CCC1(CCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC)cccc4s3)n2)CCNCC1.Cl.Cl

HCID68857825

未命名化合物

PROCEDURE

实验过程

Using the method of 2-{5-chloro-2-[3-(4-ethylpiperidin-4-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide di-hydrochloride, the title compound is synthesized from 2-(2,5-dichloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid methylamide and 4-(3-aminopropyl)-4-ethylpiperidine-1-carboxylic acid tert-butyl ester and isolated as a solid. ES+(m/z) 472 (35Cl) and 474 (37Cl) [M(free base)+H].

WORKUP

后处理

customisolated as a solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b02b086825240eea7c3bab201935b0f
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07547691B2
来源说明: uspto-grants-2009_06

反应 SMILES

Cl.Cl.[CH:3]1([NH:6][C:7]([C:9]2[C:17]3[CH:16]=[C:15]([C:18]4[C:23]([Cl:24])=[CH:22][N:21]=[C:20]([NH:25][CH2:26][CH2:27][CH2:28][C:29]5([CH2:35][CH3:36])[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]5)[N:19]=4)[S:14][C:13]=3[CH:12]=[CH:11][CH:10]=2)=[O:8])CC1.CNC(C1C2C=C(C3C([Cl:56])=CN=C(Cl)N=3)SC=2C=CC=1)=O.C(OC(N1CCC(CCCN)(CC)CC1)=O)(C)(C)C>>[ClH:24].[ClH:56].[CH3:3][NH:6][C:7]([C:9]1[C:17]2[CH:16]=[C:15]([C:18]3[C:23]([Cl:24])=[CH:22][N:21]=[C:20]([NH:25][CH2:26][CH2:27][CH2:28][C:29]4([CH2:35][CH3:36])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]4)[N:19]=3)[S:14][C:13]=2[CH:12]=[CH:11][CH:10]=1)=[O:8]