HRID248943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19762593

未命名化合物

结构：N#CNC(=NCCSCc1csc(NC(=N)N)n1)Oc1ccccc1

HCID178512334

未命名化合物

PRODUCTS

生成物

结构：CN(CCN=C(NC#N)NCCSCc1csc(NC(=N)N)n1)CCC(c1ccccc1)c1ccccn1

HCID178484315

未命名化合物

PROCEDURE

实验过程

Preparation is effected analogously to Example 1, using 0.8 g (3 mmol) of N-methyl-N-[3-phenyl-3-(2-pyridyl)propyl]-1,2-ethanediamine and 1.01 g (2.7 mmol) of N-cyano-N'-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-O-phenyl-isourea as starting materials. Working up by chromatography analogously to Example 1 yields the purified title compound in the form of a viscous oil; MS (+FAB method): m/z (rel. int.[%])=551 ([M+H]+, 2), 196 (100); IR (KBr): 2164 cm-1 (C≡N). For analytical purposes a sample is converted into the maleic acid salt and recrystallised from ether/ethanol; m.p.: 115°-116° C. with decomposition.

WORKUP

后处理

customPreparation
customWorking up by chromatography analogously to Example 1 yields the
custompurified title compound in the form of a viscous oil
customrecrystallised from ether/ethanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57091491603e41a982f0d9f8af600ed9
来源数据集: uspto-grants-1993_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05212187
来源说明: uspto-grants-1993_05

反应 SMILES

[CH3:1][N:2]([CH2:6][CH2:7][CH:8]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1)[CH2:3][CH2:4][NH2:5].[C:21]([NH:23][C:24](=[N:32][CH2:33][CH2:34][S:35][CH2:36][C:37]1[N:38]=[C:39]([NH:42][C:43]([NH2:45])=[NH:44])[S:40][CH:41]=1)OC1C=CC=CC=1)#[N:22]>>[C:21]([NH:23][C:24]([NH:32][CH2:33][CH2:34][S:35][CH2:36][C:37]1[N:38]=[C:39]([NH:42][C:43]([NH2:45])=[NH:44])[S:40][CH:41]=1)=[N:5][CH2:4][CH2:3][N:2]([CH2:6][CH2:7][CH:8]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1)[CH3:1])#[N:22]