HRID41502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID521998

4-Methylbenzenesulfonic acid hydrate

C7H10O4S

结构：CNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)O)c(C)c3)c2)c2cc(OC)c(OC)cc2n1

HCID66646296

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)O)c(C)c3)c2)c2cc(OC)c(OC)cc2n1.Cc1ccc(S(=O)(=O)O)cc1

HCID86628496

未命名化合物

收率 39.4%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

PROCEDURE

实验过程

Dimethyl sulfoxide (1 mL) and p-toluenesulfonic acid monohydrate (47.98 mg) were added to methyl N-[3-(6,7-dimethoxy-2-methylaminoquinazolin-4-yl)phenyl]terephthalamic acid (106.56 mg). The mixture was heated to be dissolved, and then 2-propanol (5 mL) was added to the mixture and the mixture was cooled to room temperature to be solidified. The solid was collected by filtration to yield the titled compound (57.34 mg).

WORKUP

后处理

temperatureThe mixture was heated
dissolutionto be dissolved
filtrationThe solid was collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89acfb8f053e4c209db1ff00c6863952
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08530654B2
来源说明: uspto-grants-2013_09

反应 SMILES

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