HRID248938

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

HCID19762608

未命名化合物

PRODUCTS

生成物

结构：CN(CCCNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC#N)CCC(c1ccc(F)cc1)c1ccccn1

HCID53798334

未命名化合物

PROCEDURE

实验过程

Preparation is effected analogously to Example 1, using 0.8 g (2.7 mmol) of N-[3-(4-fluorophenyl)-3-(2-pyridyl)propyl]-N-methyl-1,3-propanediamine and 1.04 g (2.6 mmol) 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.[%])=600 ([M+H]+ 22.4), 214 (100); IR (KBr): 2164 cm-1 (C≡N).

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-05e3a8e865fa47f1b4d180535ae2496b
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:7]=[CH:6][C:5]([CH:8]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)[CH2:9][CH2:10][N:11]([CH3:16])[CH2:12][CH2:13][CH2:14][NH2:15])=[CH:4][CH:3]=1.[C:23]([NH:25][C:26](=[N:34][CH2:35][CH2:36][CH2:37][O:38][C:39]1[CH:44]=[CH:43][CH:42]=[C:41]([CH2:45][N:46]2[CH2:51][CH2:50][CH2:49][CH2:48][CH2:47]2)[CH:40]=1)OC1C=CC=CC=1)#[N:24]>>[C:23]([NH:25][C:26]([NH:15][CH2:14][CH2:13][CH2:12][N:11]([CH2:10][CH2:9][CH:8]([C:5]1[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=1)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=1)[CH3:16])=[N:34][CH2:35][CH2:36][CH2:37][O:38][C:39]1[CH:44]=[CH:43][CH:42]=[C:41]([CH2:45][N:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH:40]=1)#[N:24]