HRID234048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79443

Benzene, 1-isocyanato-4-methoxy-

C8H7NO2

结构：CCc1cc2c(s1)-n1c(C3CCCCC3)nnc1C(N)N=C2c1ccccc1Cl

HCID18917574

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(s1)-n1c(C3CCCCC3)nnc1C(NC(=O)Nc1ccc(OC)cc1)N=C2c1ccccc1Cl

HCID18917614

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6212

Chloroform

CHCl3

PROCEDURE

实验过程

6-Amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (0.6 g) was dissolved in chloroform (15 ml) and 4-methoxyphenyl isocyanate (0.2 ml) was added thereto. The mixture was stirred for 30 minutes. The reaction mixture was purified by silica gel column chromatography and crystals obtained were recrystallized from methanol to give 0.49 g of N-(4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N'-(4-methoxyphenyl)urea having a melting point of 268°-269° C.

WORKUP

后处理

customThe reaction mixture was purified by silica gel column chromatography and crystals
customobtained
customwere recrystallized from methanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-877918462756485f84609d41363d3da3
来源数据集: uspto-grants-1997_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05593988
来源说明: uspto-grants-1997_01

反应 SMILES

[NH2:1][CH:2]1[N:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[Cl:15])[C:6]2[CH:16]=[C:17]([CH2:19][CH3:20])[S:18][C:5]=2[N:4]2[C:21]([CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]3)=[N:22][N:23]=[C:3]12.[CH3:30][O:31][C:32]1[CH:37]=[CH:36][C:35]([N:38]=[C:39]=[O:40])=[CH:34][CH:33]=1>C(Cl)(Cl)Cl>[Cl:15][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=1[C:7]1[C:6]2[CH:16]=[C:17]([CH2:19][CH3:20])[S:18][C:5]=2[N:4]2[C:21]([CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]3)=[N:22][N:23]=[C:3]2[CH:2]([NH:1][C:39]([NH:38][C:35]2[CH:36]=[CH:37][C:32]([O:31][CH3:30])=[CH:33][CH:34]=2)=[O:40])[N:8]=1