HRID1272679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(NCCNc1nc(Cl)nc2c1ncn2C1CCCC1)c1cccc(C(F)(F)F)c1

HCID21922944

未命名化合物

HCID178511674

未命名化合物

PRODUCTS

生成物

结构：Cl.Cl.N[C@H]1CC[C@H](Nc2nc(NCCNC(=O)c3cccc(C(F)(F)F)c3)c3ncn(C4CCCC4)c3n2)CC1

HCID178478733

未命名化合物

CONDITIONS

反应条件

温度: 140 °C

PROCEDURE

实验过程

290 mg of the product obtained in Stage 1 above and 365 mg of trans-1,4-diaminocyclohexane are mixed together and the reaction medium is heated to approximately 140° C. for 6 hours. After evaporating the solvent, chromatography on silica is carried out (eluent methylene chloride/ methanol/ammonium hydroxide 85/15/1.5) followed by taking up in an ethanolic solution of hydrochloric acid, leaving to crystallize, separating, drying under reduced pressure and 206 mg of expected product is recovered.

WORKUP

后处理

customAfter evaporating the solvent, chromatography on silica
customleaving
customto crystallize
customseparating
dry with materialdrying under reduced pressure and 206 mg of expected product
customis recovered

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bccdb060bb3430b8d2f85c6584df352
来源数据集: uspto-grants-2007_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07208598B2
来源说明: uspto-grants-2007_04

反应 SMILES

[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)=[C:4]([NH:16][CH2:17][CH2:18][NH:19][C:20](=[O:31])[C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:29])[F:28])[CH:22]=2)[N:3]=1.[NH2:32][C@H:33]1[CH2:38][CH2:37][C@H:36]([NH2:39])[CH2:35][CH2:34]1>>[ClH:1].[ClH:1].[NH2:32][C@H:33]1[CH2:38][CH2:37][C@H:36]([NH:39][C:2]2[N:10]=[C:9]3[C:5]([N:6]=[CH:7][N:8]3[CH:11]3[CH2:15][CH2:14][CH2:13][CH2:12]3)=[C:4]([NH:16][CH2:17][CH2:18][NH:19][C:20](=[O:31])[C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:28])[F:29])[CH:22]=3)[N:3]=2)[CH2:35][CH2:34]1