HRID623685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCNC(=O)c1nnn(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1N(C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1

HCID117678067

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1N(C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1

HCID117678002

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID9942167

Palladium hydroxide

H2O2Pd

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

Intermediate obtained from Step C was hydrogenated for 1 hour in EtOH (5 ml) in the presence of Pd(OH)2/C (0.015 mmol). The catalyst was filtered off through Celite® pad and ethanol was removed under reduced pressure. The crude reaction mixture was used in the next reaction without any purification.

WORKUP

后处理

filtrationThe catalyst was filtered off through Celite® pad and ethanol
customwas removed under reduced pressure
customThe crude reaction mixture
customwas used in the next reaction without any purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42d352c45d314ce8a88270881888faf9
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09302998B2
来源说明: uspto-grants-2016_04

反应 SMILES

[C:1]([O:5][C:6](=[O:55])[N:7]([C:20]1[N:21]([C:30]2[CH:35]=[C:34]([CH:36]([CH3:38])[CH3:37])[C:33]([O:39]CC3C=CC=CC=3)=[CH:32][C:31]=2[O:47]CC2C=CC=CC=2)[N:22]=[N:23][C:24]=1[C:25](=[O:29])[NH:26][CH2:27][CH3:28])[C:8]1[CH:13]=[CH:12][C:11]([N:14]2[CH2:19][CH2:18][O:17][CH2:16][CH2:15]2)=[CH:10][CH:9]=1)([CH3:4])([CH3:3])[CH3:2]>CCO.[OH-].[OH-].[Pd+2]>[C:1]([O:5][C:6](=[O:55])[N:7]([C:20]1[N:21]([C:30]2[CH:35]=[C:34]([CH:36]([CH3:37])[CH3:38])[C:33]([OH:39])=[CH:32][C:31]=2[OH:47])[N:22]=[N:23][C:24]=1[C:25](=[O:29])[NH:26][CH2:27][CH3:28])[C:8]1[CH:9]=[CH:10][C:11]([N:14]2[CH2:19][CH2:18][O:17][CH2:16][CH2:15]2)=[CH:12][CH:13]=1)([CH3:2])([CH3:4])[CH3:3]