HRID1025878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID192802

beta-Alanine amide

C3H8N2O

结构：O=C(O)CCNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53312281

未命名化合物

PRODUCTS

生成物

结构：NC(=O)CCNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53311271

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 52, from 3-{2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-propionic acid (Example 34) and 3-amino-propionamide (commercially available, CAS RN 4726-85-6). Light brown foam (74%). MS (ESI): m/z=554.136 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6de6306c5aa64bcb96316f600d76e736
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

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