HRID2288922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N[C@@H](CCCNC#N)C(=O)OC(C)(C)C.N#N

HCID86755534

未命名化合物

结构：CC(C)(C)OC(=O)N=COCNCCC[C@H](N)C(=O)OC(C)(C)C.Cl.N#N

HCID86755535

未命名化合物

PRODUCTS

生成物

HCID86755534

未命名化合物

结构：CCON=CNCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Cl.N#N

HCID178475097

未命名化合物

收率 75%

PROCEDURE

实验过程

By the method described above for the preparation of N2 -(tert-butoxycarbonyl)-N5 -(iminomethoxymethyl)-L-ornithine tert-butyl ester hydrochloride, 1.05 g (3.35 mmol) of N2 -(tert-butoxycarbonyl)-N5 -cyano-L-ornithine tert-butyl ester produced 0.95 g (75%) N2 -(tert-butoxycarbonyl)-N5 -(ethoxyiminomethyl)-L-ornithine tert-butyl ester hydrochloride (TLC, silica gel, methanol:dichloromethane/1:4, Rf=0.61) and 1.195 g (3.2 mmol) of N2 -(tert-butoxycarbonyl)-N5 -cyano-L-ornithine tert-butyl ester produced 0.63 g (63%) N2 -(tert-butoxycarbonyl)-N5 -(iminoisopropoxymethyl)-L-ornithine tert-butyl ester hydrochloride (TLC, silica gel, methanol: dichloro methane/1:4, Rf=0.53). Mass Spectrum (CI) 360 (MH+, 100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf4dbd1f33949ba8b717cbc9eeb3269
来源数据集: uspto-grants-2000_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06090846
来源说明: uspto-grants-2000_07

反应 SMILES

[N:1]#[N:2].[ClH:3].[C:4]([O:8]C(=O)[C@H](CCCNCOC=NC(OC(C)(C)C)=O)N)(C)(C)[CH3:5].N#N.[C:30]([O:34][C:35](=[O:51])[C@H:36]([CH2:45][CH2:46][CH2:47][NH:48][C:49]#[N:50])[NH:37][C:38]([O:40][C:41]([CH3:44])([CH3:43])[CH3:42])=[O:39])([CH3:33])([CH3:32])[CH3:31]>>[N:1]#[N:2].[ClH:3].[C:30]([O:34][C:35](=[O:51])[C@H:36]([CH2:45][CH2:46][CH2:47][NH:48][CH:49]=[N:50][O:8][CH2:4][CH3:5])[NH:37][C:38]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:39])([CH3:31])([CH3:32])[CH3:33].[N:1]#[N:2].[C:30]([O:34][C:35](=[O:51])[C@H:36]([CH2:45][CH2:46][CH2:47][NH:48][C:49]#[N:50])[NH:37][C:38]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:39])([CH3:31])([CH3:32])[CH3:33]