HRID724523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1ccc2[nH]c(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2c1

HCID86591604

未命名化合物

结构：CC(C)CCn1cc([N+](=O)[O-])cc1C(=O)NCCCC(=N)N

HCID86760303

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1cc(NC(=O)c2cc3cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc3[nH]2)cc1C(=O)NCCCC(=N)N

HCID69599326

未命名化合物

收率 58%

PROCEDURE

实验过程

1-(3-Methyl-butyl)-4-nitro-1H-pyrrole-2-carboxylic acid (3-carbamimidoyl-propyl)-amide (prepared by the methods described in Dyatkina et al. J. Med. Chem., 45:805–817, 2002) was reduced to its amine by hydrogenation according to the procedure for 97. The amine was then coupled with compound 33 according to the similar procedure for preparation of compound 95 to give compound 101 in 58% yield. MS: 609.33 (M+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45dcb7f6149b4946b7469f0ab798de48
来源数据集: uspto-grants-2006_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07141680B2
来源说明: uspto-grants-2006_11

反应 SMILES

[C:1]([CH2:4][CH2:5][CH2:6][NH:7][C:8]([C:10]1[N:11]([CH2:18][CH2:19][CH:20]([CH3:22])[CH3:21])[CH:12]=[C:13]([N+:15]([O-])=O)[CH:14]=1)=[O:9])(=[NH:3])[NH2:2].FC1C([O:30][C:31]([C:33]2[NH:34][C:35]3[C:40]([CH:41]=2)=[CH:39][C:38]([C:42](=[O:54])[NH:43][CH2:44][CH2:45][NH:46][C:47]([O:49][C:50]([CH3:53])([CH3:52])[CH3:51])=[O:48])=[CH:37][CH:36]=3)=O)=C(F)C(F)=C(F)C=1F>>[C:50]([O:49][C:47](=[O:48])[NH:46][CH2:45][CH2:44][NH:43][C:42]([C:38]1[CH:39]=[C:40]2[C:35](=[CH:36][CH:37]=1)[NH:34][C:33]([C:31](=[O:30])[NH:15][C:13]1[CH:14]=[C:10]([C:8](=[O:9])[NH:7][CH2:6][CH2:5][CH2:4][C:1](=[NH:3])[NH2:2])[N:11]([CH2:18][CH2:19][CH:20]([CH3:22])[CH3:21])[CH:12]=1)=[CH:41]2)=[O:54])([CH3:53])([CH3:51])[CH3:52]