HRID1025872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756556

ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate

C5H7N3O2S

结构：COC(=O)CNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53312194

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nnc(NC(=O)c2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)s1

HCID53311182

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21899848

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 1, from 2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoic acid (Example 29, intermediate) and 5-amino-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester (commercially available, CAS RN 64837-53-2) and using a gradient of n-heptane:ethyl acetate (100:0 to 0:100) for the chromatographic purification. Yellow solid (67%). MS (ESI): m/z=652.12 [M+H]+.

WORKUP

后处理

customfor the chromatographic purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b416afb6f77e4638b5ccdc4e547fabfb
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08729091B2
来源说明: uspto-grants-2014_05

反应 SMILES

COC(=O)CN[C:6](=[O:37])[C:7]1[CH:12]=[C:11]([Cl:13])[C:10]([O:14][C:15]2[CH:20]=[CH:19][N:18]=[CH:17][C:16]=2[C:21]([N:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[N:26]([CH:33]3[CH2:35][CH2:34]3)[CH2:25][CH2:24]2)=[O:22])=[CH:9][C:8]=1[Cl:36].[CH2:39]([O:41][C:42]([C:44]1[S:45][C:46]([NH2:49])=[N:47][N:48]=1)=[O:43])[CH3:40]>CCCCCCC.C(OCC)(=O)C>[CH2:39]([O:41][C:42]([C:44]1[S:45][C:46]([NH:49][C:6](=[O:37])[C:7]2[CH:12]=[C:11]([Cl:13])[C:10]([O:14][C:15]3[CH:20]=[CH:19][N:18]=[CH:17][C:16]=3[C:21]([N:23]3[C:32]4[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=4)[N:26]([CH:33]4[CH2:35][CH2:34]4)[CH2:25][CH2:24]3)=[O:22])=[CH:9][C:8]=2[Cl:36])=[N:47][N:48]=1)=[O:43])[CH3:40]