HRID507418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736266

4-Isocyanato-3,5-dimethyl-1,2-oxazole

C6H6N2O2

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(N)cc1

HCID68468184

未命名化合物

PRODUCTS

生成物

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C)cc1

HCID25227475

未命名化合物

PROCEDURE

实验过程

Synthesis in analogy to Example 6 starting from 3-[2-(4-amino-phenyl)-2-oxo-ethyl]-2-methyl-5,5-diphenyl-3,5-dihydro-imidazol-4-one and 4-isocyanato-3,5-dimethyl-isoxazole to yield 1-(3,5-dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4,4-diphenyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea. LC/MS at 254 nm; [M+H] 522; Rt 3.191 min.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef8cef7e681843e1893b1f1a8b9f1992
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07786155B2
来源说明: uspto-grants-2010_08

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:29])[CH2:9][N:10]2[C:14](=[O:15])[C:13]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[N:12]=[C:11]2[CH3:28])=[CH:4][CH:3]=1.[N:30]([C:33]1[C:34]([CH3:39])=[N:35][O:36][C:37]=1[CH3:38])=[C:31]=[O:32]>>[CH3:39][C:34]1[C:33]([NH:30][C:31]([NH:1][C:2]2[CH:3]=[CH:4][C:5]([C:8](=[O:29])[CH2:9][N:10]3[C:14](=[O:15])[C:13]([C:22]4[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=4)([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[N:12]=[C:11]3[CH3:28])=[CH:6][CH:7]=2)=[O:32])=[C:37]([CH3:38])[O:36][N:35]=1