HRID1242022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CSc1sc2c([n+]1C)CCCC2.Cc1ccc(S(=O)(=O)[O-])cc1

HCID21937526

未命名化合物

结构：CCNc1ccc(C(C)=O)cc1N=C1SCC(=O)N1Cc1ccc(C(=O)OC)cc1

HCID21937537

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(C)=O)cc1N=C1SC(=C2SC3=C(CCCC3)N2C)C(=O)N1Cc1ccc(C(=O)OC)cc1

HCID72639864

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in a manner similar to Example 168 by condensing intermediate 3-methyl-2-methylthio-4,5,6,7-tetrahydro-benzothiazol-3-ium p-toluenesulfonate with 4-[2-(5-acetyl-2-ethylaminophenylimino)-4-oxothiazolidin-3-ylmethyl]benzoic acid methyl ester. MS(ESI): 577 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-702fe6a6add94267b83120812b8edeae
来源数据集: uspto-grants-2006_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07115640B2
来源说明: uspto-grants-2006_10

反应 SMILES

C1(C)C=CC(S([O-])(=O)=O)=CC=1.[CH3:12][N+:13]1[C:17]2[CH2:18][CH2:19][CH2:20][CH2:21][C:16]=2[S:15][C:14]=1SC.[CH3:24][O:25][C:26](=[O:53])[C:27]1[CH:32]=[CH:31][C:30]([CH2:33][N:34]2[C:38](=[O:39])[CH2:37][S:36][C:35]2=[N:40][C:41]2[CH:46]=[C:45]([C:47](=[O:49])[CH3:48])[CH:44]=[CH:43][C:42]=2[NH:50][CH2:51][CH3:52])=[CH:29][CH:28]=1>>[C:47]([C:45]1[CH:44]=[CH:43][C:42]([NH:50][CH2:51][CH3:52])=[C:41]([N:40]=[C:35]2[N:34]([CH2:33][C:30]3[CH:31]=[CH:32][C:27]([C:26]([O:25][CH3:24])=[O:53])=[CH:28][CH:29]=3)[C:38](=[O:39])[C:37](=[C:14]3[N:13]([CH3:12])[C:17]4[CH2:18][CH2:19][CH2:20][CH2:21][C:16]=4[S:15]3)[S:36]2)[CH:46]=1)(=[O:49])[CH3:48]