HRID902800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID2775785

未命名化合物

HCID67420478

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(CNC(=O)c2ccc(CN(Cc3ccc(O)c(C(=O)O)c3)C(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1

HCID11285093

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, 4-(trifluoromethyl)benzoyl chloride and 6-(aminomethyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one acetate. M+(ESI): 633.4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ed1de33c87e4fdf89d28dc8f6da3666
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.[F:25][C:26]([F:37])([F:36])[C:27]1[CH:35]=[CH:34][C:30]([C:31](Cl)=[O:32])=[CH:29][CH:28]=1.C(O)(=O)C.[NH2:42][CH2:43][C:44]1[CH:56]=[CH:55][C:47]2[O:48]C(C)(C)[O:50][C:51](=[O:52])[C:46]=2[CH:45]=1>>[OH:48][C:47]1[CH:55]=[CH:56][C:44]([CH2:43][N:42]([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:31](=[O:32])[C:30]2[CH:34]=[CH:35][C:27]([C:26]([F:37])([F:36])[F:25])=[CH:28][CH:29]=2)=[CH:45][C:46]=1[C:51]([OH:52])=[O:50]