HRID616119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID552246

Methyl carbonisothiocyanatidate

C3H3NO2S

HCID20371063

未命名化合物

HCID20371138

未命名化合物

PRODUCTS

生成物

结构：C=CCS(=O)c1ccc(NC(=S)NC(=O)OC)c([N+](=O)[O-])c1

HCID20371044

未命名化合物

HCID20371128

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

PROCEDURE

实验过程

1.5 G. of 1-amino-2-nitro-4-(prop-2-en-1-ylsulfinyl)-benzene or 1-amino-2-nitro-4-(prop-2-yn-1-ylsulfinyl)benzene, prepared according to Example XXII, in 200 ml. acetone is treated with 4 g. methoxy carbonyl isothiocyanate at room temperature for several days (i.e., until no starting material is present). The mixture is concentrated and the residue triturated with methanol to yield 1-(3-methoxycarbonyl-2-thioureido)-2-nitro-4-(prop-2-en-1-ylsulfinyl)benzene or 1-(3-methoxycarbonyl-2-thioureido)-2-nitro-4-(prop-2-yn-sulfinyl)benzene, respectively.

WORKUP

后处理

concentrationThe mixture is concentrated
customthe residue triturated with methanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42e102eca30f42c9964c062554572626
来源数据集: uspto-grants-1978_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04072696
来源说明: uspto-grants-1978_02

反应 SMILES

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