HRID2053917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11430

Potassium Carbonate

CK2O3

HCID24526

Chlorine

Cl2

2 次

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：Cc1cc(C(=O)NC(Cc2ccc(O)cc2)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCCC1

HCID59737129

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cn1c(C(Cc2ccc(O)cc2)NC(=O)c2ccc(C(=O)N3CCCC3)c(C)c2)nc2ccc(Cl)cc21

HCID59655244

未命名化合物

收率 30%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PROCEDURE

实验过程

Prepared analogously to Example 6b from N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-3-methyl-4-(pyrrolidin-1-ylcarbonyl)benzamide, methyl bromoacetate, and potassium carbonate in dimethylformamide. Yield: 30%; Rf value: 0.33 (silica gel; dichloromethane/ethanol=19:1); C31H31ClN4O5 (575.06); mass spectrum: (M+H)+=575/577 (chlorine isotope) and (M−H)−=573/575 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09333dbffb65405d90895a68bb0941d9
来源数据集: uspto-grants-2008_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07326791B2
来源说明: uspto-grants-2008_02

反应 SMILES

[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([CH:10]([NH:19][C:20](=[O:35])[C:21]3[CH:26]=[CH:25][C:24]([C:27]([N:29]4[CH2:33][CH2:32][CH2:31][CH2:30]4)=[O:28])=[C:23]([CH3:34])[CH:22]=3)[CH2:11][C:12]3[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][CH:13]=3)[NH:7][C:6]=2[CH:36]=1.Br[CH2:38][C:39]([O:41][CH3:42])=[O:40].C(=O)([O-])[O-].[K+].[K+].ClCl>CN(C)C=O.ClCCl.C(O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([CH:10]([NH:19][C:20](=[O:35])[C:21]3[CH:26]=[CH:25][C:24]([C:27]([N:29]4[CH2:33][CH2:32][CH2:31][CH2:30]4)=[O:28])=[C:23]([CH3:34])[CH:22]=3)[CH2:11][C:12]3[CH:13]=[CH:14][C:15]([OH:18])=[CH:16][CH:17]=3)[N:7]([CH2:38][C:39]([O:41][CH3:42])=[O:40])[C:6]=2[CH:36]=1