HRID1683828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)C(C)(C)Oc1cc(OCCCCCOc2ccc(C=NN)cc2)ccc1C(=O)N(C(C)C)C(C)C.Cl

HCID67634019

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1OC(C)(C)C(=O)O)C(C)C

HCID67634409

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

PROCEDURE

实验过程

A mixture of 0.16 g (0.26 mmol) of ethyl 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetate monohydrochloride and 10 ml of 6N hydrochloric acid is heated to reflux for 16 hours. The mixture is cooled to room temperature and then concentrated under reduced pressure at 50° C. to afford 5-[5-[4-(aminoiminomethyl)phenoxy]pentyloxy]-2-[N,N-bis(1-methylethyl)carbamoyl]phenoxydimethylacetic acid as an oil; CHN calculated for C29H41N3O6.HCl.0.5H2O:

WORKUP

后处理

temperatureis heated
temperatureto reflux for 16 hours
concentrationconcentrated under reduced pressure at 50° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70af867b7ac34aa4b38bcac388b304a0
来源数据集: uspto-grants-1997_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05639768
来源说明: uspto-grants-1997_06

反应 SMILES

Cl.[NH2:2][N:3]=[CH:4][C:5]1[CH:41]=[CH:40][C:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][C:16]2[CH:17]=[CH:18][C:19]([C:31](=[O:39])[N:32]([CH:36]([CH3:38])[CH3:37])[CH:33]([CH3:35])[CH3:34])=[C:20]([CH:30]=2)[O:21][C:22]([CH3:29])([CH3:28])[C:23]([O:25]CC)=[O:24])=[CH:7][CH:6]=1>Cl>[NH2:2][N:3]=[CH:4][C:5]1[CH:6]=[CH:7][C:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][C:16]2[CH:17]=[CH:18][C:19]([C:31](=[O:39])[N:32]([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:38])[CH3:37])=[C:20]([CH:30]=2)[O:21][C:22]([CH3:29])([CH3:28])[C:23]([OH:25])=[O:24])=[CH:40][CH:41]=1