HRID352676

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：COC(=O)CCc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2C(=O)OC)C(=O)OC(C)(C)C)cc1

HCID57039722

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1C(=O)NC1=NCCCN1

HCID56996588

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

75 mg (0.13 mmol) of 2-((1S)-1-tert-butoxycarbonyl-2-(4-(2-methoxycarbonyl-ethyl)-benzoylamino)-ethylsulfamoyl)-benzoic acid methyl ester was dissolved in 1 ml of dimethylformamide and 68 mg (0.69 mmol) of 2-amino-1,4,5,6-tetrahydropyrimidine was added. The reaction was stirred at room temperature for 20 hours. The solvent was removed in vacuo and the residue was chromatographed on silica gel eluting with dichloromethane/methanol (1/1), followed by dichloromethane/methanol/acetic acid/water (85/15/1.5/1.5). Yield 54 mg. MS (ES+): m/e=683.3 (M+H+).

WORKUP

后处理

customThe solvent was removed in vacuo
customthe residue was chromatographed on silica gel eluting with dichloromethane/methanol (1/1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86c3bba120ea460abfc416f418d5048f
来源数据集: uspto-grants-2004_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06747148B2
来源说明: uspto-grants-2004_06

反应 SMILES

CO[C:3](=[O:38])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10](=[O:37])(=[O:36])[NH:11][C@H:12]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:13][NH:14][C:15](=[O:28])[C:16]1[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24](OC)=[O:25])=[CH:18][CH:17]=1.[NH2:39][C:40]1[NH:41][CH2:42][CH2:43][CH2:44][N:45]=1>CN(C)C=O>[C:32]([O:31][C:29](=[O:30])[C@@H:12]([NH:11][S:10]([C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=1[C:3](=[O:38])[NH:39][C:40]1[NH:45][CH2:44][CH2:43][CH2:42][N:41]=1)(=[O:37])=[O:36])[CH2:13][NH:14][C:15](=[O:28])[C:16]1[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24](=[O:25])[NH:39][C:40]2[NH:45][CH2:44][CH2:43][CH2:42][N:41]=2)=[CH:18][CH:17]=1)([CH3:35])([CH3:34])[CH3:33]