HRID2217768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58962923

未命名化合物

结构：CSC(=NC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1

HCID58986296

未命名化合物

PRODUCTS

生成物

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

收率 54.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

A solution of (R)-tert-butyl methylthio(1-(4-(trifluoromethyl)-phenyl)pyrrolidine-2-carboxamido)methylenecarbamate (6 mg), 3,5-dichloro-4-(2-(dimethylamino)acetamido)-benzylamine (10 mg) and triethylamine (50 μL) was heated at 56° C. for 12 h. The crude reaction mixture was purified directly by preparative TLC eluting with 10% methanol/89% dichloromethane/1% ammonia hydroxide to give the title compound as a colorless oil (5 mg). retention time: 2.03 min (method A). MS (ESI) (M+Na)+ 659.19.

WORKUP

后处理

customThe crude reaction mixture
customwas purified directly by preparative TLC
washeluting with 10% methanol/89% dichloromethane/1% ammonia hydroxide

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f446c5f047a46d7ab0f52e13dba81e0
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

CS[C:3](=[N:22][C:23](=[O:29])[O:24][C:25]([CH3:28])([CH3:27])[CH3:26])[NH:4][C:5]([C@H:7]1[CH2:11][CH2:10][CH2:9][N:8]1[C:12]1[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][CH:13]=1)=[O:6].[Cl:30][C:31]1[CH:32]=[C:33]([CH:36]=[C:37]([Cl:46])[C:38]=1[NH:39][C:40](=[O:45])[CH2:41][N:42]([CH3:44])[CH3:43])[CH2:34][NH2:35]>C(N(CC)CC)C>[Cl:30][C:31]1[CH:32]=[C:33]([CH:36]=[C:37]([Cl:46])[C:38]=1[NH:39][C:40](=[O:45])[CH2:41][N:42]([CH3:43])[CH3:44])[CH2:34][NH:35][C:3]([NH:4][C:5]([C@H:7]1[CH2:11][CH2:10][CH2:9][N:8]1[C:12]1[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][CH:13]=1)=[O:6])=[N:22][C:23](=[O:29])[O:24][C:25]([CH3:28])([CH3:27])[CH3:26]