HRID2053967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24526

Chlorine

Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID13578532

未命名化合物

结构：CC(NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178464831

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(C(=O)N2CCCCC2CN(C)C2CCCCC2)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178464802

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID679

Dimethyl sulfoxide

C2H6OS

PROCEDURE

实验过程

Prepared analogously to Example 1d from rac.-2-chloro-4-{N-[1-(5-chloro-1H-benzimidazol-2-yl)ethyl]aminocarbonyl}benzoic acid, 2-(N-cyclohexyl-N-methylaminomethyl)piperidine, PFTU, and diisopropylethylamine in DMSO at ambient temperature. HPLC-MS results: retention time: 4.25 minutes; C30H37Cl2N5O2 (570.56); mass spectrum: (M−H)−=570/572/574 (chlorine isotope).

WORKUP

后处理

customHPLC-MS results

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e92ec3cf59df4316ad5a2e724a6251f0
来源数据集: uspto-grants-2008_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07326791B2
来源说明: uspto-grants-2008_02

反应 SMILES

[Cl:1][C:2]1[CH:10]=[C:9]([C:11]([NH:13][CH:14]([C:16]2[NH:20][C:19]3[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=3[N:17]=2)[CH3:15])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[CH:26]1([N:32]([CH2:34][CH:35]2[CH2:40][CH2:39][CH2:38][CH2:37][NH:36]2)[CH3:33])[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]1.C(N(C(C)C)CC)(C)C.ClCl>CS(C)=O>[Cl:1][C:2]1[CH:10]=[C:9]([CH:8]=[CH:7][C:3]=1[C:4]([N:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH:35]1[CH2:34][N:32]([CH:26]1[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]1)[CH3:33])=[O:6])[C:11]([NH:13][CH:14]([C:16]1[NH:20][C:19]2[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=2[N:17]=1)[CH3:15])=[O:12]