HRID323274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCOCCn1c(NC2CCN(CCC3(Cc4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID9831217

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(NC2CCN(CCC3(Cc4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21.CS(=O)(=O)O

HCID22009468

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

Combine 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(phenylmethyl)pyrrolidine (0.45 g, 0.67 mmol) and methanesulfonic acid (0.14 g, 1.4 mmol) in ethyl acetate (5 mL). Heat to reflux. After 1 hour, allow to cool to ambient temperature. After 12 hours, add diethyl ether to give a solid. Collect the solid by filtration to give, after drying, the title compound.

WORKUP

后处理

temperatureHeat to reflux
waitAfter 12 hours
customto give a solid
customCollect the solid
filtrationby filtration
customto give
customafter drying

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab609cf1ad5340ec81c499d21aa2b913
来源数据集: uspto-grants-2001_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06211199B1
来源说明: uspto-grants-2001_04

反应 SMILES

[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:43]=[C:44]([O:48][CH3:49])[C:45]=1[O:46][CH3:47])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][CH:25]([NH:28][C:29]3[N:33]([CH2:34][CH2:35][O:36][CH2:37][CH3:38])[C:32]4[CH:39]=[CH:40][CH:41]=[CH:42][C:31]=4[N:30]=3)[CH2:24][CH2:23]2)([CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:9]1)=[O:7].[CH3:50][S:51]([OH:54])(=[O:53])=[O:52].C(OCC)C>C(OCC)(=O)C>[CH3:50][S:51]([OH:54])(=[O:53])=[O:52].[CH3:49][O:48][C:44]1[CH:43]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:45]=1[O:46][CH3:47])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][CH:25]([NH:28][C:29]3[N:33]([CH2:34][CH2:35][O:36][CH2:37][CH3:38])[C:32]4[CH:39]=[CH:40][CH:41]=[CH:42][C:31]=4[N:30]=3)[CH2:24][CH2:23]2)([CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:9]1)=[O:7]