HRID1986335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22990164

tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate

C13H26N2O2

结构：CNC(=O)c1ccc2cc(-c3nc(NCCC4CCNCC4)ncc3C)sc2c1.Cl.Cl

HCID68857425

未命名化合物

结构：Cc1cnc(Cl)nc1-c1cc2ccc(C(=O)N(C)C)cc2s1

HCID86625362

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NCCCC2CCNCC2)nc1-c1cc2ccc(C(=O)N(C)C)cc2s1.Cl.Cl

HCID68857098

未命名化合物

PROCEDURE

实验过程

Using the method of 2-[5-methyl-2-(2-piperidin-4-ylethylamino)-pyrimidin-4-yl]-benzo[b]thiophene-6-carboxylic acid methylamide di-hydrochloride, the title compound is synthesized from 2-(2-chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid dimethylamide and 4-(3-aminopropyl)-piperidine-1-carboxylic acid tert-butyl ester and isolated as a foam. ES+(m/z) 438 [M(free base)+H].

WORKUP

后处理

customisolated as a foam

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd51d8ccc8064304a43a134b6c83ee67
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

[ClH:1].Cl.CNC(C1C=CC2C=C(C3C(C)=CN=C(NCCC4CCNCC4)N=3)SC=2C=1)=O.[CH3:32][N:33]([CH3:53])[C:34]([C:36]1[CH:37]=[CH:38][C:39]2[CH:43]=[C:42]([C:44]3[C:49]([CH3:50])=[CH:48][N:47]=[C:46]([Cl:51])[N:45]=3)[S:41][C:40]=2[CH:52]=1)=[O:35].C(OC([N:61]1[CH2:66][CH2:65][CH:64]([CH2:67][CH2:68][CH2:69][NH2:70])[CH2:63][CH2:62]1)=O)(C)(C)C>>[ClH:51].[ClH:1].[CH3:32][N:33]([CH3:53])[C:34]([C:36]1[CH:37]=[CH:38][C:39]2[CH:43]=[C:42]([C:44]3[C:49]([CH3:50])=[CH:48][N:47]=[C:46]([NH:70][CH2:69][CH2:68][CH2:67][CH:64]4[CH2:65][CH2:66][NH:61][CH2:62][CH2:63]4)[N:45]=3)[S:41][C:40]=2[CH:52]=1)=[O:35]