HRID582778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

结构：COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C

HCID5311451

2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid

C39H51N5O6

PRODUCTS

生成物

结构：COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O

HCID70240664

未命名化合物

收率 67.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

0.084 g of citric acid is added at RT to a solution of 0.3 g of the compound obtained in EXAMPLE 1' in 5 ml of EtOH and 3 ml of DCM, and the mixture is left stirring for 2 hours at RT. It is concentrated under vacuum and the residue is recrystallized in 2-propanol. 0.26 g of the expected product is obtained, m.p.=168° C.

WORKUP

后处理

concentrationIt is concentrated under vacuum
customthe residue is recrystallized in 2-propanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d90b201a01c74d358cc671790aca019c
来源数据集: uspto-grants-1999_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05925661
来源说明: uspto-grants-1999_07

反应 SMILES

[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4].[CH3:14][O:15][C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([O:22][CH3:23])[C:17]=1[C:24]1[N:28]([C:29]2[CH:34]=[CH:33][C:32]([C:35](=[O:44])[N:36]([CH3:43])[CH2:37][CH2:38][CH2:39][N:40]([CH3:42])[CH3:41])=[CH:31][C:30]=2[CH:45]([CH3:47])[CH3:46])[N:27]=[C:26]([C:48]([NH:50][C:51]2([C:61]([OH:63])=[O:62])[CH:58]3[CH2:59][CH:54]4[CH2:55][CH:56]([CH2:60][CH:52]2[CH2:53]4)[CH2:57]3)=[O:49])[CH:25]=1>CCO.C(Cl)Cl>[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4].[CH3:23][O:22][C:18]1[CH:19]=[CH:20][CH:21]=[C:16]([O:15][CH3:14])[C:17]=1[C:24]1[N:28]([C:29]2[CH:34]=[CH:33][C:32]([C:35](=[O:44])[N:36]([CH3:43])[CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])=[CH:31][C:30]=2[CH:45]([CH3:47])[CH3:46])[N:27]=[C:26]([C:48]([NH:50][C:51]2([C:61]([OH:63])=[O:62])[CH:52]3[CH2:53][CH:54]4[CH2:55][CH:56]([CH2:57][CH:58]2[CH2:59]4)[CH2:60]3)=[O:49])[CH:25]=1