HRID2176018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4019172

2,6-Pyridinedicarboxylic acid monomethyl ester

C8H7NO4

结构：COC(=O)c1ccc(CCCc2ccc(NC(=O)c3c(NC(=O)c4cccc(CNC(C)C)c4)sc4c3CCCC4)cc2)cc1

HCID90370278

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCCc2ccc(NC(=O)c3c(NC(=O)c4cccc(CN(C(=O)c5cccc(C(=O)OC)n5)C(C)C)c4)sc4c3CCCC4)cc2)cc1

HCID90370223

未命名化合物

收率 78.6%

PROCEDURE

实验过程

By using 116 mg of methyl 4-{3-[4-({[2-({3-[(isopropylamino)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]propyl}benzoate and 50 mg of 6-(methoxycarbonyl)pyridine-2-carboxylic acid as starting materials, the reaction similar to Preparation Example 33 was performed, thereby obtaining 115 mg of methyl 6-{isopropyl[3-({3-[(4-{3-[4-(methoxycarbonyl)phenyl]propyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)benzyl]carbamoyl}pyridine-2-carboxylate.

WORKUP

后处理

customthe reaction
customsimilar to Preparation Example 33

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a776b6072ab439b93b574af2bff25c2
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09062032B2
来源说明: uspto-grants-2015_06

反应 SMILES

[CH:1]([NH:4][CH2:5][C:6]1[CH:7]=[C:8]([CH:43]=[CH:44][CH:45]=1)[C:9]([NH:11][C:12]1[S:13][C:14]2[CH2:42][CH2:41][CH2:40][CH2:39][C:15]=2[C:16]=1[C:17]([NH:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][CH2:27][CH2:28][C:29]2[CH:38]=[CH:37][C:32]([C:33]([O:35][CH3:36])=[O:34])=[CH:31][CH:30]=2)=[CH:22][CH:21]=1)=[O:18])=[O:10])([CH3:3])[CH3:2].[CH3:46][O:47][C:48]([C:50]1[N:55]=[C:54]([C:56](O)=[O:57])[CH:53]=[CH:52][CH:51]=1)=[O:49]>>[CH:1]([N:4]([CH2:5][C:6]1[CH:45]=[CH:44][CH:43]=[C:8]([C:9](=[O:10])[NH:11][C:12]2[S:13][C:14]3[CH2:42][CH2:41][CH2:40][CH2:39][C:15]=3[C:16]=2[C:17](=[O:18])[NH:19][C:20]2[CH:25]=[CH:24][C:23]([CH2:26][CH2:27][CH2:28][C:29]3[CH:30]=[CH:31][C:32]([C:33]([O:35][CH3:36])=[O:34])=[CH:37][CH:38]=3)=[CH:22][CH:21]=2)[CH:7]=1)[C:56]([C:54]1[N:55]=[C:50]([C:48]([O:47][CH3:46])=[O:49])[CH:51]=[CH:52][CH:53]=1)=[O:57])([CH3:3])[CH3:2]