HRID902805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID64801

Benzenepropanoyl chloride

C9H9ClO

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID2775785

未命名化合物

HCID11615330

6-amino-2,2-dimethyl-benzo[1,3]dioxin-4-one

C10H11NO3

PRODUCTS

生成物

结构：CCCCCc1ccc(CNC(=O)c2ccc(CN(C(=O)CCc3ccccc3)c3ccc(O)c(C(=O)O)c3)cc2)cc1

HCID11478727

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the procedure A using 4-pentylbenzylamine, 4-(chloromethyl)benzoyl chloride, 3-phenylpropanoyl chloride and 6-amino-2,2-dimethyl-4H-1,3-benzodioxin-4-one. M+(ESI): 579.4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d540767f13f46a2b0358f7fca695e21
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07365225B2
来源说明: uspto-grants-2008_04

反应 SMILES

[CH2:1]([C:6]1[CH:13]=[CH:12][C:9]([CH2:10][NH2:11])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH2:4][CH3:5].Cl[CH2:15][C:16]1[CH:24]=[CH:23][C:19]([C:20](Cl)=[O:21])=[CH:18][CH:17]=1.[C:25]1([CH2:31][CH2:32][C:33](Cl)=[O:34])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[NH2:36][C:37]1[CH:49]=[CH:48][C:40]2[O:41]C(C)(C)[O:43][C:44](=[O:45])[C:39]=2[CH:38]=1>>[OH:41][C:40]1[CH:48]=[CH:49][C:37]([N:36]([CH2:15][C:16]2[CH:24]=[CH:23][C:19]([C:20]([NH:11][CH2:10][C:9]3[CH:12]=[CH:13][C:6]([CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])=[CH:7][CH:8]=3)=[O:21])=[CH:18][CH:17]=2)[C:33](=[O:34])[CH2:32][CH2:31][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[CH:38][C:39]=1[C:44]([OH:45])=[O:43]