HRID2164415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID98708

未命名化合物

反应SMILES：CC(=O)NC(=O)Nc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1N

HCID15585469

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)N=C(NC(=O)OC)Nc1cc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1NC(=O)NC(C)=O

HCID178502525

未命名化合物

PROCEDURE

实验过程

14.6 g of 2-(3-acetylureido)-5-(3-trifluoromethylphenylsulfonyloxy)aniline, 12.4 g of N,N'-bismethoxycarbonyl-S-methylisothiourea and 75 mg of p-toluenesulfonic acid are stirred under reflux for two hours. After cooling down, the mixture is evaporated under reduced pressure, the residue is recrystallized from isopropanol and the crystals are stirred with cold ethyl acetate, filtered off with suction and washed, melting point 189° C., decomposition.

WORKUP

后处理

temperatureunder reflux for two hours
temperatureAfter cooling down
customthe mixture is evaporated under reduced pressure
customthe residue is recrystallized from isopropanol
filtrationfiltered off with suction
washwashed

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-696cca6d470e43d4b52233793f0e00df
来源数据集: uspto-grants-1985_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US04504490
来源说明: uspto-grants-1985_03

反应SMILES

[C:1]([NH:4][C:5](=[O:28])[NH:6][C:7]1[CH:13]=[CH:12][C:11]([O:14][S:15]([C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[CH:19]=2)(=[O:17])=[O:16])=[CH:10][C:8]=1[NH2:9])(=[O:3])[CH3:2].[CH3:29][O:30][C:31]([NH:33][C:34](=[N:37][C:38]([O:40][CH3:41])=[O:39])SC)=[O:32].C1(C)C=CC(S(O)(=O)=O)=CC=1>>[C:1]([NH:4][C:5](=[O:28])[NH:6][C:7]1[CH:13]=[CH:12][C:11]([O:14][S:15]([C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([C:24]([F:26])([F:25])[F:27])[CH:19]=2)(=[O:16])=[O:17])=[CH:10][C:8]=1[NH:9][C:34]([NH:37][C:38]([O:40][CH3:41])=[O:39])=[N:33][C:31]([O:30][CH3:29])=[O:32])(=[O:3])[CH3:2]