HRID251864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6579

Acrylamide

C3H5NO

HCID23665649

Lithium perchlorate

ClLiO4

结构：COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

HCID72493844

未命名化合物

PRODUCTS

生成物

结构：COc1c(N2CC(C)N(CCC(N)=O)C(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

HCID72493816

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID6342

Acetonitrile

C2H3N

溶剂HCID679

Dimethyl sulfoxide

C2H6OS

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

A few drops of acetonitrile are added at room temperature to 55 mg of the compound of Example 52, 18 mg of acrylamide and 35 mg of lithium perchlorate, so that a stirrable suspension results. The mixture is heated to 70° C. over night and left to cool. After the addition of DMSO the whole mixture is separated by preparative HPLC (Method 5). After concentrating the suitable fractions and drying under high vacuum 30 mg (40% of theory) of the title compound are obtained.

WORKUP

后处理

customresults
waitleft
temperatureto cool
customis separated by preparative HPLC (Method 5)
concentrationAfter concentrating the suitable fractions
dry with materialdrying under high vacuum 30 mg (40% of theory) of the title compound
customare obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b93aa94662c4e62b1e0a9feeacf9e77
来源数据集: uspto-grants-2011_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07867992B2

反应 SMILES

[CH3:1][CH:2]1[NH:7][CH:6]([CH3:8])[CH2:5][N:4]([C:9]2[C:18]([O:19][CH3:20])=[C:17]3[C:12]([C:13](=[O:42])[C:14]([C:26]([NH:28][CH2:29][C:30]4[CH:35]=[CH:34][C:33]([O:36][C:37]([F:40])([F:39])[F:38])=[CH:32][C:31]=4[CH3:41])=[O:27])=[CH:15][N:16]3[CH2:21][C:22]([F:25])([F:24])[F:23])=[CH:11][C:10]=2[F:43])[CH2:3]1.[C:44]([NH2:48])(=[O:47])[CH:45]=[CH2:46].Cl([O-])(=O)(=O)=O.[Li+]>C(#N)C.CS(C)=O>[NH2:48][C:44](=[O:47])[CH2:45][CH2:46][N:7]1[CH:6]([CH3:8])[CH2:5][N:4]([C:9]2[C:18]([O:19][CH3:20])=[C:17]3[C:12]([C:13](=[O:42])[C:14]([C:26]([NH:28][CH2:29][C:30]4[CH:35]=[CH:34][C:33]([O:36][C:37]([F:40])([F:38])[F:39])=[CH:32][C:31]=4[CH3:41])=[O:27])=[CH:15][N:16]3[CH2:21][C:22]([F:25])([F:24])[F:23])=[CH:11][C:10]=2[F:43])[CH2:3][CH:2]1[CH3:1]