HRID1249714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)N(Cc3ccccc3)Cc3ccccc3)C2C(=O)OC(C)(C)C)cc1

HCID12087866

未命名化合物

结构：COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)OCc3ccccc3)C2C(=O)OC(C)(C)C)cc1

HCID15550526

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)N(Cc3ccccc3)Cc3ccccc3)C2C(=O)O)cc1

HCID12087867

未命名化合物

PROCEDURE

实验过程

3-(3,3-Dibenzylureido)-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid tert-butyl ester (200 mg, 0.33 mMol) is reacted in the same manner as 3-Benzyloxycarbonylamino-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid tert-butyl ester and purified by flash-chromatography, Dichloromethane/Methanol (9:1) to afford the free acid: Cal 550.6 found (M)+=550.

WORKUP

后处理

custompurified by flash-chromatography, Dichloromethane/Methanol (9:1)
customto afford the free acid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bec7263a87b421a84e06cb89c4d8f1d
来源数据集: uspto-grants-2002_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06335329B1
来源说明: uspto-grants-2002_01

反应 SMILES

C([O:5][C:6]([CH:8]1[CH:14]([NH:15][C:16]([N:18]([CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[O:17])[CH2:13][CH:12]=[CH:11][CH2:10][N:9]1[S:33]([C:36]1[CH:41]=[CH:40][C:39]([O:42][CH3:43])=[CH:38][CH:37]=1)(=[O:35])=[O:34])=[O:7])(C)(C)C.C(OC(C1C(NC(OCC2C=CC=CC=2)=O)CC=CCN1S(C1C=CC(OC)=CC=1)(=O)=O)=O)(C)(C)C>>[CH2:26]([N:18]([CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:16](=[O:17])[NH:15][CH:14]1[CH2:13][CH:12]=[CH:11][CH2:10][N:9]([S:33]([C:36]2[CH:37]=[CH:38][C:39]([O:42][CH3:43])=[CH:40][CH:41]=2)(=[O:34])=[O:35])[CH:8]1[C:6]([OH:7])=[O:5])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1