HRID1715851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12686067

未命名化合物

结构：COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21

HCID68433807

1-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid

C18H19NO5S

PRODUCTS

生成物

结构：CCOC(=O)C1CCCc2sc(NC(=O)c3ccc4c(c3)N(S(=O)(=O)c3cc(C)ccc3OC)CCC4)nc21

HCID86621012

未命名化合物

PROCEDURE

实验过程

1-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid was converted to the title compound in analogy to example 8, steps 3 and 4. Step 3 was performed using 2-amino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester and 1-(2-methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid and yielded 2-{[1-(2-methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carbonyl]-amino}-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester, which was hydrolyzed to 2-{[1-(2-methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carbonyl]-amino}-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid in step 4, MS (ISP): m/e=540.3 (M−H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6782c1f9afb43f2b57c615066df6594
来源数据集: uspto-grants-2010_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07799933B2
来源说明: uspto-grants-2010_09

反应 SMILES

[CH2:1]([O:3][C:4]([CH:6]1[C:11]2[N:12]=[C:13]([NH2:15])[S:14][C:10]=2[CH2:9][CH2:8][CH2:7]1)=[O:5])[CH3:2].[CH3:16][O:17][C:18]1[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][C:19]=1[S:25]([N:28]1[C:37]2[C:32](=[CH:33][CH:34]=[C:35]([C:38](O)=[O:39])[CH:36]=2)[CH2:31][CH2:30][CH2:29]1)(=[O:27])=[O:26]>>[CH2:1]([O:3][C:4]([CH:6]1[C:11]2[N:12]=[C:13]([NH:15][C:38]([C:35]3[CH:36]=[C:37]4[C:32]([CH2:31][CH2:30][CH2:29][N:28]4[S:25]([C:19]4[CH:20]=[C:21]([CH3:24])[CH:22]=[CH:23][C:18]=4[O:17][CH3:16])(=[O:27])=[O:26])=[CH:33][CH:34]=3)=[O:39])[S:14][C:10]=2[CH2:9][CH2:8][CH2:7]1)=[O:5])[CH3:2]