HRID1354691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID201097

Piperidin-1-yl-acetic acid

C7H13NO2

结构：CNC1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

HCID21105367

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)CN1CCCCC1)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

HCID21105560

未命名化合物

PROCEDURE

实验过程

1-(4-Cyclopentyloxyphenyl)-3-[4-(3-methylaminopyrrolidin-1-yl)phenyl]urea was reacted with piperidin-1-ylacetic acid by method E. This resulted in the product with the molecular weight of 519.69 (C30H41N5O3); MS (ESI): 520 (M+H+).

WORKUP

后处理

customThis resulted in the product with the molecular weight of 519.69 (C30H41N5O3)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5618e8f63d054047912057b20bf12c26
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07223788B2
来源说明: uspto-grants-2007_05

反应 SMILES

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