HRID16587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(C(=O)O)CCOCC3)CC2)c2ccccc21

HCID11712263

未命名化合物

HCID15619088

Benzenesulfonic acid--water (1/1)

C6H8O4S

PRODUCTS

生成物

结构：CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(C(=O)O)CCOCC3)CC2)c2ccccc21.O=S(=O)(O)c1ccccc1

HCID86620041

未命名化合物

收率 90.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

2 次

PROCEDURE

实验过程

To a suspension of 4-{[4-({[(3-Isopropyl-2-oxo-2,3-dihydro′-1H-benzimidazol-1-yl)carbonyl]amino}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid (750 mg, Step 13) in CH3CN (5 mL), a solution of benzenesulfonic acid monohydrate (288 mg) in CH3CN (5 mL) was added at room temperature. The resulting mixture was stirred at room temperature for 2 days and it was concentrated. The residue was dried to afford 909 mg (90%) of the titled compound as a solid.

WORKUP

后处理

concentrationit was concentrated
customThe residue was dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47b27a62a832479db135ea1f68f94ace
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07737163B2
来源说明: uspto-grants-2010_06

反应 SMILES

[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[N:6]([C:13]([NH:15][CH2:16][CH:17]2[CH2:22][CH2:21][N:20]([CH2:23][C:24]3([C:30]([OH:32])=[O:31])[CH2:29][CH2:28][O:27][CH2:26][CH2:25]3)[CH2:19][CH2:18]2)=[O:14])[C:5]1=[O:33])([CH3:3])[CH3:2].O.[C:35]1([S:41]([OH:44])(=[O:43])=[O:42])[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1>CC#N>[C:35]1([S:41]([OH:44])(=[O:43])=[O:42])[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[N:6]([C:13]([NH:15][CH2:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][C:24]3([C:30]([OH:32])=[O:31])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[CH2:21][CH2:22]2)=[O:14])[C:5]1=[O:33])([CH3:3])[CH3:2]