HRID1850599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)O)cn3)nc2n1C1CCCC1

HCID58315472

未命名化合物

HCID67356121

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5COCC(C4)N5C(=O)OCc4ccccc4)cn3)nc2n1C1CCCC1

HCID67355740

未命名化合物

收率 80.3%

PROCEDURE

实验过程

Following general amide formation method 3, 6-(7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)nicotinic acid (406 mg, 1.03 mmole) was combined with 3-Oxa-7,9-diaza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester (266 mg, 0.9 mmole) which gave 7-[6-(7-Cyclopentyl-6-dimethylcarbamoyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridine-3-carbonyl]-3-oxa-7,9-diaza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester (0.466 g, 0.723 mmol) in 80% yield. MS m/z 639.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7864570fc8da43c6a64b614d0fe673fc
来源数据集: uspto-grants-2015_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08957074B2
来源说明: uspto-grants-2015_02

反应 SMILES

[CH:1]1([N:6]2[C:10]3[N:11]=[C:12]([NH:15][C:16]4[CH:24]=[CH:23][C:19]([C:20](O)=[O:21])=[CH:18][N:17]=4)[N:13]=[CH:14][C:9]=3[CH:8]=[C:7]2[C:25](=[O:29])[N:26]([CH3:28])[CH3:27])[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH2:30]([O:37][C:38]([N:40]1[CH:45]2[CH2:46][NH:47][CH2:48][CH:41]1[CH2:42][O:43][CH2:44]2)=[O:39])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[CH2:30]([O:37][C:38]([N:40]1[CH:45]2[CH2:46][N:47]([C:20]([C:19]3[CH:18]=[N:17][C:16]([NH:15][C:12]4[N:13]=[CH:14][C:9]5[CH:8]=[C:7]([C:25](=[O:29])[N:26]([CH3:28])[CH3:27])[N:6]([CH:1]6[CH2:5][CH2:4][CH2:3][CH2:2]6)[C:10]=5[N:11]=4)=[CH:24][CH:23]=3)=[O:21])[CH2:48][CH:41]1[CH2:42][O:43][CH2:44]2)=[O:39])[C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1