HRID1915650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

结构：CNC(=O)c1cc(Oc2ccc3c(c2)nc(NC(=O)c2ccc(CCl)cc2)n3C)ccn1

HCID131725840

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc3c(c2)nc(NC(=O)c2ccc(CN4CCN(C)CC4)cc2)n3C)ccn1

HCID22040418

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

To a solution of [4-(2-{[4-(chloromethyl)phenyl]carbonylamino)-1-methylbenzimidazol-5-yloxy)(2-pyridyl)]-N-methylcarboxamide (1 eq) in tetrahydrofuran was added methylpiperazine (4 eq) and stirred at ambient temperature for 16 h. The reaction mixture was concentrated and purified on preparative chromatography to yield N-methyl {4-[1-methyl-2-({4-[(4-methylpiperazinyl)methyl]phenyl}carbonylamino)benzimidazol-5-yloxy](2-pyridyl)}carboxamide. MS: MH+=512.

WORKUP

后处理

concentrationThe reaction mixture was concentrated
custompurified on preparative chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-578e1abebac5469abdc3b21cd514025f
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08614330B2
来源说明: uspto-grants-2013_12

反应 SMILES

Cl[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([NH:11][C:12]2[N:16]([CH3:17])[C:15]3[CH:18]=[CH:19][C:20]([O:22][C:23]4[CH:28]=[CH:27][N:26]=[C:25]([C:29]([NH:31][CH3:32])=[O:30])[CH:24]=4)=[CH:21][C:14]=3[N:13]=2)=[O:10])=[CH:5][CH:4]=1.[CH3:33][N:34]1[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]1>O1CCCC1>[CH3:32][NH:31][C:29]([C:25]1[CH:24]=[C:23]([O:22][C:20]2[CH:19]=[CH:18][C:15]3[N:16]([CH3:17])[C:12]([NH:11][C:9]([C:6]4[CH:7]=[CH:8][C:3]([CH2:2][N:37]5[CH2:38][CH2:39][N:34]([CH3:33])[CH2:35][CH2:36]5)=[CH:4][CH:5]=4)=[O:10])=[N:13][C:14]=3[CH:21]=2)[CH:28]=[CH:27][N:26]=1)=[O:30]