HRID2300700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)CCCCBr)c2)C1O

HCID15922485

未命名化合物

结构：COc1ccc(C2C(CCC(O)c3ccccc3)C(=O)N2c2ccc(CN)cc2)cc1

HCID15922486

未命名化合物

PRODUCTS

生成物

结构：CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)CCCCNCc3ccc(N4C(=O)C(CCC(O)c5ccccc5)C4c4ccc(OC)cc4)cc3)c2)C1O

HCID10213227

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

100 mg of N-[3-(3-butyl-7-dimethylamino-3-ethyl-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-benzo[b]thiepin-5-yl)phenyl]-5-bromopentanamide and 70 mg of 1-(4-aminomethylphenyl)-3-(3-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one are dissolved in 5 ml of dimethylformamide and, with stirring, heated at 80° C. for about 2 to 3 hours. After the reaction has ended (monitored by thin-layer chromatogram or HPLC-MS), the solvent is removed under reduced pressure and the residue is purified by chromatography. This gives product 1 of molecular weight 929.24 (C55H68N4O7S); MS (FAB): 929 (M+H+).

WORKUP

后处理

customthe solvent is removed under reduced pressure
customthe residue is purified by chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc6b685612354509bb10fb8c79d3d248
来源数据集: uspto-grants-2002_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06498156B2
来源说明: uspto-grants-2002_12

反应 SMILES

[CH2:1]([C:5]1([CH2:36][CH3:37])[CH2:11][S:10](=[O:13])(=[O:12])[C:9]2[CH:14]=[CH:15][C:16]([N:18]([CH3:20])[CH3:19])=[CH:17][C:8]=2[CH:7]([C:21]2[CH:22]=[C:23]([NH:27][C:28](=[O:34])[CH2:29][CH2:30][CH2:31][CH2:32]Br)[CH:24]=[CH:25][CH:26]=2)[CH:6]1[OH:35])[CH2:2][CH2:3][CH3:4].[NH2:38][CH2:39][C:40]1[CH:45]=[CH:44][C:43]([N:46]2[CH:49]([C:50]3[CH:55]=[CH:54][C:53]([O:56][CH3:57])=[CH:52][CH:51]=3)[CH:48]([CH2:58][CH2:59][CH:60]([OH:67])[C:61]3[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=3)[C:47]2=[O:68])=[CH:42][CH:41]=1>CN(C)C=O>[CH2:1]([C:5]1([CH2:36][CH3:37])[CH2:11][S:10](=[O:13])(=[O:12])[C:9]2[CH:14]=[CH:15][C:16]([N:18]([CH3:20])[CH3:19])=[CH:17][C:8]=2[CH:7]([C:21]2[CH:22]=[C:23]([NH:27][C:28](=[O:34])[CH2:29][CH2:30][CH2:31][CH2:32][NH:38][CH2:39][C:40]3[CH:45]=[CH:44][C:43]([N:46]4[C:47](=[O:68])[CH:48]([CH2:58][CH2:59][CH:60]([OH:67])[C:61]5[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=5)[CH:49]4[C:50]4[CH:51]=[CH:52][C:53]([O:56][CH3:57])=[CH:54][CH:55]=4)=[CH:42][CH:41]=3)[CH:24]=[CH:25][CH:26]=2)[CH:6]1[OH:35])[CH2:2][CH2:3][CH3:4]