HRID2241140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)Cl)s1

HCID2775673

5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-sulfonyl chloride

C9H6ClF3N2O2S2

结构：Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)s1

HCID11977552

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)nn4C)s3)c2)cc1

HCID68406674

未命名化合物

PROCEDURE

实验过程

4-{3-[5-(2-Methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophene-2-sulfonlyamino]-benzoylamino}-benzoic acid, MS (ISP): m/e=549.2 (M−H), was prepared in analogy to example 1, steps A to D. Step C was performed using 5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophene-2-sulfonyl chloride and yielded 4-{3-[5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophene-2-sulfonylamino]-benzoylamino}-benzoic acid ethyl ester, which was hydrolyzed in step D.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37dff99dccf840f182f088ff74989b3d
来源数据集: uspto-grants-2010_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07723538B2
来源说明: uspto-grants-2010_05

反应 SMILES

[CH3:1][N:2]1[C:6]([C:7]2[S:11][C:10]([S:12]([NH:15][C:16]3[CH:17]=[C:18]([CH:31]=[CH:32][CH:33]=3)[C:19]([NH:21][C:22]3[CH:30]=[CH:29][C:25]([C:26]([OH:28])=[O:27])=[CH:24][CH:23]=3)=[O:20])(=[O:14])=[O:13])=[CH:9][CH:8]=2)=[CH:5][C:4]([C:34]([F:37])([F:36])[F:35])=[N:3]1.CN1C(C2SC(S(Cl)(=O)=O)=CC=2)=[CH:42][C:41](C(F)(F)F)=N1>>[CH2:41]([O:27][C:26](=[O:28])[C:25]1[CH:29]=[CH:30][C:22]([NH:21][C:19](=[O:20])[C:18]2[CH:31]=[CH:32][CH:33]=[C:16]([NH:15][S:12]([C:10]3[S:11][C:7]([C:6]4[N:2]([CH3:1])[N:3]=[C:4]([C:34]([F:35])([F:37])[F:36])[CH:5]=4)=[CH:8][CH:9]=3)(=[O:14])=[O:13])[CH:17]=2)=[CH:23][CH:24]=1)[CH3:42]