HRID247368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66296

2-Propanone, 1-nitro-

C3H5NO3

HCID11117809

未命名化合物

结构：C/C(N)=C/C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1

HCID70353925

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C(c2ccccc2SCc2ccccc2)C([N+](=O)[O-])=C(C)N1

HCID70435623

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

PROCEDURE

实验过程

10 mmoles of 2-benzylmercaptobenzaldehyde, 15 mmoles of nitroacetone and 10 mmoles of 3-aminocrotonic acid N-[4-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-phenyl]-amide in 30 ml of isopropanol are heated at 60°-70° C. for 10 hours. The reaction mixture is concentrated and the residue is taken up in chloroform and chromatographed over silica gel using chloroform to which methanol is added. The product is recrystallized from isopropanol.

WORKUP

后处理

concentrationThe reaction mixture is concentrated
customchromatographed over silica gel
additionis added
customThe product is recrystallized from isopropanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f217b0ecf554432a8b63ae406eeb837
来源数据集: uspto-grants-1987_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04707479
来源说明: uspto-grants-1987_11

反应 SMILES

[CH2:1]([S:8][C:9]1[CH:16]=[CH:15][CH:14]=[CH:13][C:10]=1[CH:11]=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N+:17]([CH2:20][C:21](=O)[CH3:22])([O-:19])=[O:18].[O:24]=[C:25]1[NH:30][N:29]=[C:28]([C:31]2[CH:36]=[CH:35][C:34]([NH:37][C:38](=[O:43])/[CH:39]=[C:40](\[NH2:42])/[CH3:41])=[CH:33][CH:32]=2)[CH2:27][CH2:26]1>C(O)(C)C>[O:24]=[C:25]1[NH:30][N:29]=[C:28]([C:31]2[CH:32]=[CH:33][C:34]([NH:37][C:38]([C:39]3[CH:11]([C:10]4[CH:13]=[CH:14][CH:15]=[CH:16][C:9]=4[S:8][CH2:1][C:2]4[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=4)[C:20]([N+:17]([O-:19])=[O:18])=[C:21]([CH3:22])[NH:42][C:40]=3[CH3:41])=[O:43])=[CH:35][CH:36]=2)[CH2:27][CH2:26]1