HRID1805896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1

HCID135565674

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O

HCID135566083

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

2 次

CONDITIONS

反应条件

温度: 20 °C

PROCEDURE

实验过程

100 g (0.16 mol) of the compound (6B) are dissolved in 890 ml acetone with heating and combined with a solution of 15 g (0.16 mol) methanesulphonic acid in 200 ml acetone. The solution is filtered and after the addition of 77 ml acetone cooled to approx. 20° C. The precipitated product is isolated and washed with acetone.

WORKUP

后处理

temperaturewith heating
filtrationThe solution is filtered
additionafter the addition of 77 ml acetone
customThe precipitated product is isolated
washwashed with acetone

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1900d15b50ae4817a9c5a5697cc7d246
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08354543B2
来源说明: uspto-grants-2013_01

反应 SMILES

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