HRID2176013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID517981

Methyl 3-(bromomethyl)benzoate

C9H9BrO2

结构：CCC(CC)N(CCNC)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)OC)cc4)cc2)CCCC3)c1

HCID90370366

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)N(CCN(C)Cc1cccc(C(=O)OC)c1)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)OC)cc4)cc2)CCCC3)c1

HCID90370237

未命名化合物

收率 90.7%

PROCEDURE

实验过程

By using 200 mg of methyl 4-[2-(4-{[(2-{[3-({[2-(methylamino)ethyl](pentan-3-yl)amino}methyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate and 79 mg of methyl 3-(bromomethyl)benzoate, the reaction similar to Preparation Example 30 was performed, thereby obtaining 220 mg of methyl 3-{[(2-{[3-({3-[(4-{2-[4-(methoxycarbonyl)phenyl]ethyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)benzyl](pentan-3-yl)amino}ethyl)(methyl)amino]methyl}benzoate.

WORKUP

后处理

customthe reaction
customsimilar to Preparation Example 30

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a653dc02dae401d98368545657a35bb
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

[CH3:1][NH:2][CH2:3][CH2:4][N:5]([CH2:11][C:12]1[CH:13]=[C:14]([CH:48]=[CH:49][CH:50]=1)[C:15]([NH:17][C:18]1[S:19][C:20]2[CH2:47][CH2:46][CH2:45][CH2:44][C:21]=2[C:22]=1[C:23]([NH:25][C:26]1[CH:31]=[CH:30][C:29]([CH2:32][CH2:33][C:34]2[CH:43]=[CH:42][C:37]([C:38]([O:40][CH3:41])=[O:39])=[CH:36][CH:35]=2)=[CH:28][CH:27]=1)=[O:24])=[O:16])[CH:6]([CH2:9][CH3:10])[CH2:7][CH3:8].Br[CH2:52][C:53]1[CH:54]=[C:55]([CH:60]=[CH:61][CH:62]=1)[C:56]([O:58][CH3:59])=[O:57]>>[CH3:41][O:40][C:38]([C:37]1[CH:36]=[CH:35][C:34]([CH2:33][CH2:32][C:29]2[CH:30]=[CH:31][C:26]([NH:25][C:23]([C:22]3[C:21]4[CH2:44][CH2:45][CH2:46][CH2:47][C:20]=4[S:19][C:18]=3[NH:17][C:15]([C:14]3[CH:13]=[C:12]([CH:50]=[CH:49][CH:48]=3)[CH2:11][N:5]([CH:6]([CH2:7][CH3:8])[CH2:9][CH3:10])[CH2:4][CH2:3][N:2]([CH2:52][C:53]3[CH:54]=[C:55]([CH:60]=[CH:61][CH:62]=3)[C:56]([O:58][CH3:59])=[O:57])[CH3:1])=[O:16])=[O:24])=[CH:27][CH:28]=2)=[CH:43][CH:42]=1)=[O:39]