HRID248981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#CNC(=NCCCOc1cccc(CN2CCCCC2)c1)Oc1ccccc1

HCID13486636

未命名化合物

HCID19762569

未命名化合物

PRODUCTS

生成物

结构：CN(CCCNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC#N)CCN(Cc1ccc(F)cc1)c1ccccn1

HCID54446203

未命名化合物

PROCEDURE

实验过程

Preparation is effected analogously to Example 1, using 0.63 g (2.0 mmol) of N-[2-[N-(4-fluorobenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,3-propanediamine and the equimolar amount of N-cyano-O-phenyl-N'-[3-[3-(piperidinomethyl)phenoxy]propyl]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. [%])=615 ([M+H]+, 14), 229 (100), 109 (96); IR (KBr): 2167 cm-1 (C≡N). For further analysis, a portion of the compound is converted into the tartaric acid salt in an ethanol/ether solvent mixture; m.p.: 65°-68° C. (ethanol/ether).

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4436259389b40dfade0e468ee1b04fd
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

[F:1][C:2]1[CH:23]=[CH:22][C:5]([CH2:6][N:7]([CH2:14][CH2:15][N:16]([CH3:21])[CH2:17][CH2:18][CH2:19][NH2:20])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)=[CH:4][CH:3]=1.[C:24]([NH:26][C:27](=[N:35][CH2:36][CH2:37][CH2:38][O:39][C:40]1[CH:45]=[CH:44][CH:43]=[C:42]([CH2:46][N:47]2[CH2:52][CH2:51][CH2:50][CH2:49][CH2:48]2)[CH:41]=1)OC1C=CC=CC=1)#[N:25]>>[C:24]([NH:26][C:27]([NH:20][CH2:19][CH2:18][CH2:17][N:16]([CH2:15][CH2:14][N:7]([CH2:6][C:5]1[CH:22]=[CH:23][C:2]([F:1])=[CH:3][CH:4]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)[CH3:21])=[N:35][CH2:36][CH2:37][CH2:38][O:39][C:40]1[CH:45]=[CH:44][CH:43]=[C:42]([CH2:46][N:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH:41]=1)#[N:25]