HRID52592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

HCID5080737

4-cyano-N-methylbenzamide

C9H8N2O

HCID16777071

未命名化合物

结构：NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

HCID136381100

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(CNC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1

HCID136381111

未命名化合物

收率 22%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

Prepared, analogously to Example 67a) but using acetonitrile as solvent instead of dimethylformamide, from (R)-N5 -[amino(nitroimino)methyl]-N2 -(diphenylacetyl)-ornithine, 4-[(methylamino)carbonyl]benzenemethylamine (prepared from 4-cyano-N-methylbenzamide by catalytic hydrogenation in the presence of palladium/animal charcoal) and TBTU in a yield of 22% of theory.

WORKUP

后处理

customPrepared, analogously to Example 67a) but

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-643370c841a84dca854cc1e371cf6247
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:27][N+:28]([O-:30])=[O:29])[NH:3][CH2:4][CH2:5][CH2:6][C@H:7]([C:24](O)=[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.[CH3:31][NH:32][C:33]([C:35]1[CH:40]=[CH:39][C:38]([CH2:41][NH2:42])=[CH:37][CH:36]=1)=[O:34].C(C1C=CC(C(NC)=O)=CC=1)#N.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>C(#N)C.[Pd].CN(C)C=O>[NH2:1][C:2](=[N:27][N+:28]([O-:30])=[O:29])[NH:3][CH2:4][CH2:5][CH2:6][C@H:7]([C:24]([NH:42][CH2:41][C:38]1[CH:37]=[CH:36][C:35]([C:33]([NH:32][CH3:31])=[O:34])=[CH:40][CH:39]=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