HRID215916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID92980

3-Piperidinecarboxamide

C6H12N2O

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(Cl)nc3ccccc23)CC1

HCID58006255

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(N3CCCC(C(N)=O)C3)nc3ccccc23)CC1

HCID58006197

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

Compound 47 (50 mg, 0.12 mmol) and piperidine-3-carboxamide (45 mg, 0.36 mmol) in 1,4-dioxane (5 mL) were heated to 117° C. for 24 h in a sealed tube. The product (AGN-219171) was purified by basic alumina flash column chromatography using 3% MeOH and 97% CH2Cl2 solution as eluent.

WORKUP

后处理

customThe product (AGN-219171) was purified by basic alumina flash column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7548b5b5d144a5b7d79804b8cda90a
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08193203B2
来源说明: uspto-grants-2012_06

反应 SMILES

Cl[C:2]1[N:11]=[C:10]([NH:12][CH:13]2[CH2:18][CH2:17][N:16]([CH2:19][C:20]3[C:25]([O:26][CH3:27])=[CH:24][CH:23]=[CH:22][C:21]=3[N:28]([CH3:30])[CH3:29])[CH2:15][CH2:14]2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[NH:31]1[CH2:36][CH2:35][CH2:34][CH:33]([C:37]([NH2:39])=[O:38])[CH2:32]1>O1CCOCC1>[CH3:29][N:28]([CH3:30])[C:21]1[CH:22]=[CH:23][CH:24]=[C:25]([O:26][CH3:27])[C:20]=1[CH2:19][N:16]1[CH2:17][CH2:18][CH:13]([NH:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([N:31]3[CH2:36][CH2:35][CH2:34][CH:33]([C:37]([NH2:39])=[O:38])[CH2:32]3)[N:11]=2)[CH2:14][CH2:15]1