HRID2089699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：C=C(C)COC(=O)N=C(N)c1ccc(N[C@@H](c2nc(OCOC(=O)OC(CC)CC)n(-c3ncccn3)n2)c2cc(OC)cc(OCCOC(C)=O)c2F)cc1

HCID86677416

未命名化合物

PRODUCTS

生成物

结构：CC(=O)O.CCC(CC)OC(=O)OCOc1nc([C@H](Nc2ccc(C(=N)N)cc2)c2cc(OC)cc(OCCOC(C)=O)c2F)nn1-c1ncccn1

HCID86677418

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

结构：[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

催化剂HCID11979704

未命名化合物

溶剂HCID176

Acetic Acid

C2H4O2

CONDITIONS

反应条件

温度: 45 °C

PROCEDURE

实验过程

To a mixture of acetic acid 2-(3-{(R)-(4-{amino[2-methylallyloxycarbonylimino]methyl}phenylamino)-[5-(1-ethylpropoxycarbonyloxymethoxy)-1-pyrimidin-2-yl-1H-[1,2,4]triazol-3-yl]methyl}-2-fluoro-5-methoxyphenoxy)ethyl ester (Example 51, 266 mg), DMF (2 mL) and acetic acid (0.196 mL), tetrakis(triphenylphosphine) palladium (0) (20 mg) was added, and the resulting mixture was stirred overnight at an external temperature of 45° C. After cooling the mixture to room temperature, the reaction solution containing the captioned compound was divided into 4 equal lots, and used for the following reactions.

WORKUP

后处理

additionwas added
temperatureAfter cooling the mixture to room temperature
additionthe reaction solution containing the captioned compound

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ff6cccbf6a45a8bd5a02aea271b8e8
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08436009B2
来源说明: uspto-grants-2013_05

反应 SMILES

[NH2:1][C:2](=[N:49]C(OCC(C)=C)=O)[C:3]1[CH:8]=[CH:7][C:6]([NH:9][C@@H:10]([C:27]2[N:31]=[C:30]([O:32][CH2:33][O:34][C:35]([O:37][CH:38]([CH2:41][CH3:42])[CH2:39][CH3:40])=[O:36])[N:29]([C:43]3[N:48]=[CH:47][CH:46]=[CH:45][N:44]=3)[N:28]=2)[C:11]2[C:12]([F:26])=[C:13]([CH:21]=[C:22]([O:24][CH3:25])[CH:23]=2)[O:14][CH2:15][CH2:16][O:17][C:18](=[O:20])[CH3:19])=[CH:5][CH:4]=1.CN(C=O)C>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(O)(=O)C>[C:18]([OH:20])(=[O:17])[CH3:19].[C:2]([C:3]1[CH:4]=[CH:5][C:6]([NH:9][C@@H:10]([C:27]2[N:31]=[C:30]([O:32][CH2:33][O:34][C:35]([O:37][CH:38]([CH2:39][CH3:40])[CH2:41][CH3:42])=[O:36])[N:29]([C:43]3[N:44]=[CH:45][CH:46]=[CH:47][N:48]=3)[N:28]=2)[C:11]2[C:12]([F:26])=[C:13]([CH:21]=[C:22]([O:24][CH3:25])[CH:23]=2)[O:14][CH2:15][CH2:16][O:17][C:18](=[O:20])[CH3:19])=[CH:7][CH:8]=1)(=[NH:1])[NH2:49]