HRID1592039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)CN(c1ccc(CC2NC(=O)c3ccccc3NC2=O)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

HCID67139078

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN(c1ccc(CC2NC(=O)c3ccccc3NC2=O)cc1OCc1ccccc1)S(N)(=O)=O

HCID67138957

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID131726667

未命名化合物

PROCEDURE

实验过程

The title M compound, N-[2-benzyloxy-4-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[1,4]diazepin-3-ylmethyl)-phenyl]-N-[t-butyloxycarbonylaminosulfonyl]-amino-acetic acid ethyl ester (124 mg, 0.19 mmol) is dissolved in CH2Cl2-TFA-triethylsilane (2.5:7:0.5, 1.5 mL) and the solution is stirred at RT for 1 h and evaporated. The residue is dissolved in EtOAc and the solution is washed twice with saturated aqueous NaHCO3 and brine, dried over anhydrous MgSO4, filtered and evaporated to give N-[2-benzyloxy-4-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[1,4]diazepin-3-ylmethyl)-phenyl]-N-[aminosulfonyl]-amino-acetic acid ethyl ester as a foam: [M+1]+=553.

WORKUP

后处理

customevaporated
dissolutionThe residue is dissolved in EtOAc
washthe solution is washed twice with saturated aqueous NaHCO3 and brine
dry with materialdried over anhydrous MgSO4
filtrationfiltered
customevaporated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0226e1e54e924b35a89176880e0c9376
来源数据集: uspto-grants-2007_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07291635B2
来源说明: uspto-grants-2007_11

反应 SMILES

[CH2:1]([O:3][C:4](=[O:46])[CH2:5][N:6]([C:18]1[CH:23]=[CH:22][C:21]([CH2:24][CH:25]2[NH:31][C:30](=[O:32])[C:29]3[CH:33]=[CH:34][CH:35]=[CH:36][C:28]=3[NH:27][C:26]2=[O:37])=[CH:20][C:19]=1[O:38][CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[S:7]([NH:10]C(OC(C)(C)C)=O)(=[O:9])=[O:8])[CH3:2]>C(Cl)Cl.FC(C(O)=O)(F)F.C([SiH](CC)CC)C>[CH2:1]([O:3][C:4](=[O:46])[CH2:5][N:6]([C:18]1[CH:23]=[CH:22][C:21]([CH2:24][CH:25]2[NH:31][C:30](=[O:32])[C:29]3[CH:33]=[CH:34][CH:35]=[CH:36][C:28]=3[NH:27][C:26]2=[O:37])=[CH:20][C:19]=1[O:38][CH2:39][C:40]1[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=1)[S:7]([NH2:10])(=[O:8])=[O:9])[CH3:2]