HRID2217769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CN(C)CC(=O)Nc1c(Cl)cc(CNC(=NC(=O)OC(C)(C)C)NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1Cl

HCID178483944

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：CN(C)CC(=O)Nc1c(Cl)cc(CN/C(N)=N/C(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1Cl

HCID178483946

未命名化合物

PROCEDURE

实验过程

To a solution of: (R)-tert-butyl (3,5-dichloro-4-(2-(dimethylamino)-acetamido)benzylamino)(1-(4-(trifluoromethyl)phenyl)-pyrrolidine-2-carboxamido)-methylenecarbamate (4 mg) in dichloromrthane (0.10 mL) was added TFA (0.50 μL), and the resulting mixture was stirred at room temperature for 12 h. The solvents were removed in vacuo to give the title compound as its TFA salt (3 mg). retention time: 1.52 min (method A). MS (ESI) (M+H)+ 559.13.

WORKUP

后处理

customThe solvents were removed in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-871cfa016ab34cc2a29aa2c36728c1fa
来源数据集: uspto-grants-2008_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07408071B2
来源说明: uspto-grants-2008_08

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([CH:34]=[C:35]([Cl:44])[C:36]=1[NH:37][C:38](=[O:43])[CH2:39][N:40]([CH3:42])[CH3:41])[CH2:5][NH:6][C:7]([NH:16][C:17]([C@H:19]1[CH2:23][CH2:22][CH2:21][N:20]1[C:24]1[CH:29]=[CH:28][C:27]([C:30]([F:33])([F:32])[F:31])=[CH:26][CH:25]=1)=[O:18])=[N:8]C(=O)OC(C)(C)C.[C:45]([OH:51])([C:47]([F:50])([F:49])[F:48])=[O:46]>>[NH2:8]/[C:7](/[NH:6][CH2:5][C:4]1[CH:34]=[C:35]([Cl:44])[C:36]([NH:37][C:38](=[O:43])[CH2:39][N:40]([CH3:41])[CH3:42])=[C:2]([Cl:1])[CH:3]=1)=[N:16]\[C:17]([C@H:19]1[CH2:23][CH2:22][CH2:21][N:20]1[C:24]1[CH:25]=[CH:26][C:27]([C:30]([F:31])([F:32])[F:33])=[CH:28][CH:29]=1)=[O:18].[C:45]([OH:51])([C:47]([F:50])([F:49])[F:48])=[O:46]