HRID1647108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N=C(NC(=O)OCc1ccccc1)c1ccc(C(=O)NCCCCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1

HCID140369483

未命名化合物

PRODUCTS

生成物

结构：N=C(N)c1ccc(C(=O)NCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

HCID10256303

未命名化合物

收率 88.7%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

443 mg of N-[3-[(benzyloxy)carbonyl]-N-[5-[p-[N-[(benzyloxy)carbonyl]amidino]benzamido]valeryl]-L-alanyl]-3-phenyl-L-alanine benzyl ester and 111 mg of Pd/C in 9 ml of acetic acid were stirred under hydrogen gas for 31/2 hours. The solution was filtered and evaporated, the residue was dissolved in water and the solution was again evaporated. The residue was stirred in water, filtered off with suction and dried. 246 mg of N-[N-[5-(p-amidinobenzamido)valeryl]-L-α-aspartyl]-3-phenyl-L-alanine, m.p. 241° C., was obtained as the hydrate (1:2).

WORKUP

后处理

filtrationThe solution was filtered
customevaporated
dissolutionthe residue was dissolved in water
customthe solution was again evaporated
filtrationfiltered off with suction
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4db7221d74a4aad990b333ee8958a9a
来源数据集: uspto-grants-1995_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05430024
来源说明: uspto-grants-1995_07

反应 SMILES

C([O:8][C:9](=[O:62])[C@H:10]([CH2:55][C:56]1[CH:61]=[CH:60][CH:59]=[CH:58][CH:57]=1)[NH:11][C:12](=[O:54])[C@H:13]([CH2:43][C:44]([O:46]CC1C=CC=CC=1)=[O:45])[NH:14][C:15](=[O:42])[CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:41])[C:22]1[CH:27]=[CH:26][C:25]([C:28](=[NH:40])[NH:29]C(OCC2C=CC=CC=2)=O)=[CH:24][CH:23]=1)C1C=CC=CC=1>C(O)(=O)C.[Pd]>[C:28]([C:25]1[CH:26]=[CH:27][C:22]([C:21]([NH:20][CH2:19][CH2:18][CH2:17][CH2:16][C:15]([NH:14][C@H:13]([C:12]([NH:11][C@H:10]([C:9]([OH:62])=[O:8])[CH2:55][C:56]2[CH:57]=[CH:58][CH:59]=[CH:60][CH:61]=2)=[O:54])[CH2:43][C:44](=[O:45])[OH:46])=[O:42])=[O:41])=[CH:23][CH:24]=1)(=[NH:29])[NH2:40]