HRID1242019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

结构：CC1SC(=Nc2cccc(NC(=O)CN(C)C)c2)N(c2ccco2)C1=O

HCID86760267

未命名化合物

HCID178488276

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)N(C)C(=C1SC(=Nc3cccc(NC(=O)CN(C)C)c3)N(Cc3ccco3)C1=O)S2

HCID72639904

未命名化合物

PROCEDURE

实验过程

In a manner similar to Example 45, 2-mercapto-5-methoxybenzothiazole was alkylated with methyl p-toluenesulfonate and then condensed with 2-dimethylamino-N-[3-(3-furan-2-yl methyl-4-oxothiazolidin-2-ylideneamino)-phenyl]acetamide. MS(ESI): 550 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f81f003226f64608a8b8add709b32882
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

S[C:2]1[S:3][C:4]2[CH:10]=[CH:9][C:8]([O:11][CH3:12])=[CH:7][C:5]=2[N:6]=1.C1(C)C=CC(S([O:22][CH3:23])(=O)=O)=CC=1.[CH3:25][N:26]([CH3:50])[CH2:27][C:28]([NH:30][C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([N:37]=[C:38]2[N:42]([C:43]3O[CH:45]=[CH:46][CH:47]=3)[C:41](=[O:48])[CH:40]([CH3:49])[S:39]2)[CH:32]=1)=[O:29]>>[CH3:25][N:26]([CH3:50])[CH2:27][C:28]([NH:30][C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([N:37]=[C:38]2[N:42]([CH2:43][C:47]3[O:22][CH:23]=[CH:45][CH:46]=3)[C:41](=[O:48])[C:40](=[C:49]3[N:6]([CH3:2])[C:5]4[CH:7]=[C:8]([O:11][CH3:12])[CH:9]=[CH:10][C:4]=4[S:3]3)[S:39]2)[CH:32]=1)=[O:29]