HRID52600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCOc1ccc(CNC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1

HCID137231658

未命名化合物

PRODUCTS

生成物

结构：CC(=O)[O-].CCOc1ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)cc1

HCID178476430

未命名化合物

收率 97%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

Prepared analogously to Example 1c) from (R)-N5 -[amino(nitroimino)methyl]-N2 -(diphenylacetyl)-N-[(4-ethoxyphenyl)-methyl]-ornithinamide by catalytic hydrogenation in the presence of palladium black and 80% aqueous acetic acid in a yield of 97% of theory. Colourless crystals, mp. 97°-100° C. and Rf 0.75. IR (CH2Cl2): 1665 cm-1 (C=O) 1515 cm-1 (amide-II) ESI-MS: (M+H)+ =502

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e862e44f6e74abea5a6d656f910cb72
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05616620
来源说明: uspto-grants-1997_04

反应 SMILES

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