HRID1081517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID444972

Fumaric acid

C4H4O4

结构：CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)NC(C)(C)CN(C)C)cc1OC

HCID23364231

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)NC(C)(C)CN(C)C)cc1OC.O=C(O)/C=C/C(=O)O

HCID23364237

未命名化合物

收率 43.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

PROCEDURE

实验过程

A mixture of 0.48 g of the compound obtained in EXAMPLE 115, 0.05 g of fumaric acid and 15 ml of acetone is refluxed for 5 minutes. The reaction mixture is concentrated under vacuum to give 0.13 g of the expected product after crystallization from ether. M.p.=135° C.

WORKUP

后处理

temperatureis refluxed for 5 minutes
concentrationThe reaction mixture is concentrated under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df93ffa7f877426e875d56f2fd21cad3
来源数据集: uspto-grants-1996_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05585394
来源说明: uspto-grants-1996_12

反应 SMILES

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