HRID1168513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7504

Benzylamine

C7H9N

结构：O=C1Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(CN4CCOCC4)cc(c32)N1

HCID3010832

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Cl)cc1)c1cn2c3c(cc(CN4CCOCC4)cc3c1=O)N=C(NCc1ccccc1)C2

HCID178522854

未命名化合物

PROCEDURE

实验过程

N-(4-Chlorobenzyl)-9-(4-morpholinylmethyl)-2,7-dioxo-2,3-dihydro-1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamide (Example 3, 30 mg) is heated under reflux with benzylamine (0.5 mL) for 18 h. The benzylamine is evaporated and the product is triturated with ether to give the title compound (18 mg), which is crystallized from ethyl acetate. Physical characteristics: M.p. 235-240° C.; 1H NMR (CDCl3) δ2.36, 3.51, 3.57, 4.55, 4.63, 7.2-7.5, 7.64, 8.20, 8.62, 10.5; HRMS m/z 555.2128 (C31H30ClN5O3).

WORKUP

后处理

customThe benzylamine is evaporated
customthe product is triturated with ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-024898fb29b34afa887f0481eda7da22
来源数据集: uspto-grants-2003_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06624159B2
来源说明: uspto-grants-2003_09

反应 SMILES

[Cl:1][C:2]1[CH:33]=[CH:32][C:5]([CH2:6][NH:7][C:8]([C:10]2[C:11](=[O:31])[C:12]3[C:13]4[N:14]([CH:30]=2)[CH2:15][C:16](=O)[NH:17][C:18]=4[CH:19]=[C:20]([CH2:22][N:23]2[CH2:28][CH2:27][O:26][CH2:25][CH2:24]2)[CH:21]=3)=[O:9])=[CH:4][CH:3]=1.[CH2:34]([NH2:41])[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1>>[CH2:34]([NH:41][C:16]1[CH2:15][N:14]2[CH:30]=[C:10]([C:8]([NH:7][CH2:6][C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:33][CH:32]=3)=[O:9])[C:11](=[O:31])[C:12]3[C:13]2=[C:18]([CH:19]=[C:20]([CH2:22][N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH:21]=3)[N:17]=1)[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1