HRID2089703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

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

HCID86677424

未命名化合物

PRODUCTS

生成物

结构：CC(=O)O.COc1cc(OCCO)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(OCOC(=O)OC(C)(C)CF)n(-c3ncccn3)n2)c1

HCID86677422

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HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 45 °C

PROCEDURE

实验过程

Under nitrogen atmosphere, to a mixture of carbonic acid 5-{(R)-(4-{amino-[2-methylallyloxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester 2-fluoro-1,1-dimethylethyl ester (Example 56b, 63.5 mg), acetic acid (49 μL) and N,N-dimethylformamide (0.70 ml), tetrakis(triphenylphosphine) palladium (0) (4.9 mg) was added, and the resulting mixture was stirred at 45° C. for 15 hours. After cooling the mixture to room temperature, the reaction solution containing the captioned compound was divided into 3 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-82ccc7894e414b3eb62068cda3a22475
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

[F:1][CH2:2][C:3]([O:6][C:7](=[O:53])[O:8][CH2:9][O:10][C:11]1[N:12]([C:47]2[N:52]=[CH:51][CH:50]=[CH:49][N:48]=2)[N:13]=[C:14]([C@H:16]([NH:30][C:31]2[CH:36]=[CH:35][C:34]([C:37]([NH2:46])=[N:38]C(OCC(C)=C)=O)=[CH:33][CH:32]=2)[C:17]2[CH:22]=[C:21]([O:23][CH3:24])[CH:20]=[C:19]([O:25][CH2:26][CH2:27][OH:28])[C:18]=2[F:29])[N:15]=1)([CH3:5])[CH3:4].[C:54]([OH:57])(=[O:56])[CH3:55]>[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.CN(C)C=O>[C:54]([OH:57])(=[O:56])[CH3:55].[F:1][CH2:2][C:3]([O:6][C:7](=[O:53])[O:8][CH2:9][O:10][C:11]1[N:12]([C:47]2[N:48]=[CH:49][CH:50]=[CH:51][N:52]=2)[N:13]=[C:14]([C@H:16]([NH:30][C:31]2[CH:36]=[CH:35][C:34]([C:37](=[NH:38])[NH2:46])=[CH:33][CH:32]=2)[C:17]2[CH:22]=[C:21]([O:23][CH3:24])[CH:20]=[C:19]([O:25][CH2:26][CH2:27][OH:28])[C:18]=2[F:29])[N:15]=1)([CH3:5])[CH3:4]