HRID1759702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3287412

1,4,5,6-tetrahydropyrimidin-2-amine

C4H9N3

结构：CCOC(=O)CCCOc1ccc(C[C@H](Nc2nnnn2Cc2ccccc2)C(=O)OC(C)(C)C)cc1

HCID69733478

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)Nc1nnnn1Cc1ccccc1

HCID69733081

未命名化合物

收率 24.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The ester 5-1 (150 mg) is mixed with 2-amino-1,4,5,6-tetrahydropyrimidine (42 mg) in 5 ml of CH2Cl2 and agitation is carried out at ambient temperature for 24 hours. Evaporation is then carried out under reduced pressure and the dry extract obtained is purified by chromatography, eluting with a CH2Cl2/MeOH/water/AcOH mixture 90/10/1/1. 40 mg of the expected product 5-2 is obtained.

WORKUP

后处理

customEvaporation
extractionthe dry extract
customobtained
customis purified by chromatography
washeluting with a CH2Cl2/MeOH/water/AcOH mixture 90/10/1/1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f4c574633f94285b1edfb4303718a6a
来源数据集: uspto-grants-2005_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06838453B2
来源说明: uspto-grants-2005_01

反应 SMILES

C(O[C:4](=[O:37])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:36]=[CH:35][C:12]([CH2:13][C@@H:14]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[NH:15][C:16]2[N:20]([CH2:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[N:19]=[N:18][N:17]=2)=[CH:11][CH:10]=1)C.[NH2:38][C:39]1[NH:40][CH2:41][CH2:42][CH2:43][N:44]=1>C(Cl)Cl>[O:37]=[C:4]([NH:38][C:39]1[NH:44][CH2:43][CH2:42][CH2:41][N:40]=1)[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:10]=[CH:11][C:12]([CH2:13][C@@H:14]([C:28]([O:30][C:31]([CH3:32])([CH3:34])[CH3:33])=[O:29])[NH:15][C:16]2[N:20]([CH2:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[N:19]=[N:18][N:17]=2)=[CH:35][CH:36]=1