HRID565950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CP4(=O)CCCCC4)cc2)CCO3)cc1

HCID18472245

未命名化合物

HCID21866389

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CP4(=O)CCCCC4)cc2)CCO3)cc1.Cl

HCID18472280

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

To a solution of 7-(4-dimethylaminophenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)-phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide (0.1g) in ethanol was added 4 N hydrochloric acid-ethyl acetate (0.2ml) under ice-cooling. The solvent was evaporated, and the residue was crystallized from ethanol and diethylether to give 7-(4-dimethylamino-phenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride (Compound 155) (0.1g) as colorless crystals.

WORKUP

后处理

temperaturecooling
customThe solvent was evaporated
customthe residue was crystallized from ethanol and diethylether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c74dc6813b1f490bbe87db497cccf39a
来源数据集: uspto-grants-2001_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06172061B2
来源说明: uspto-grants-2001_01

反应 SMILES

[CH3:1][N:2]([CH3:37])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[CH:11][C:12]3[O:18][CH2:17][CH2:16][C:15]([C:19]([NH:21][C:22]4[CH:27]=[CH:26][C:25]([CH2:28][P:29]5(=[O:35])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]5)=[CH:24][CH:23]=4)=[O:20])=[CH:14][C:13]=3[CH:36]=2)=[CH:5][CH:4]=1.[ClH:38].C(OCC)(=O)C>C(O)C>[ClH:38].[CH3:1][N:2]([CH3:37])[C:3]1[CH:4]=[CH:5][C:6]([C:9]2[CH:10]=[CH:11][C:12]3[O:18][CH2:17][CH2:16][C:15]([C:19]([NH:21][C:22]4[CH:27]=[CH:26][C:25]([CH2:28][P:29]5(=[O:35])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]5)=[CH:24][CH:23]=4)=[O:20])=[CH:14][C:13]=3[CH:36]=2)=[CH:7][CH:8]=1