HRID2175276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1647

Aminopropionitrile

C3H6N2

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：Cc1cccc(OCCCC(=O)N2CCCc3c(-c4cnn(CC(=O)NCCC#N)c4)cccc32)c1C

HCID70983502

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(OCCCC(=O)N2CCCc3c(-c4cnn(Cc5cccc(C(=O)NCCNC(=O)OC(C)(C)C)c5)c4)cccc32)c1C

HCID86712593

未命名化合物

PROCEDURE

实验过程

The title compound was prepared using a procedure analogous to N-(2-cyanoethyl)-2-(4-(1-(4-(2,3-dimethylphenoxy)butanoyl)-1,2,3,4-tetrahydroquinolin-5-yl)-1H-pyrazol-1-yl)acetamide except that Example 1 was replaced with Example 95 and 3-aminopropanenitrile was replaced with tert-butyl 2-aminoethylcarbamate. LCMS, [M+H]+=666.4.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7098e7829f5545c9bae924ebeaa51647
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09062028B2
来源说明: uspto-grants-2015_06

反应 SMILES

C(CCNC(=O)[CH2:7][N:8]1[CH:12]=[C:11]([C:13]2[CH:22]=[CH:21][CH:20]=[C:19]3[C:14]=2[CH2:15][CH2:16][CH2:17][N:18]3[C:23](=[O:36])[CH2:24][CH2:25][CH2:26][O:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([CH3:34])[C:29]=2[CH3:35])[CH:10]=[N:9]1)#N.N[CH2:39][CH2:40][C:41]#N.[NH2:43][CH2:44][CH2:45][NH:46][C:47](=[O:53])[O:48][C:49]([CH3:52])([CH3:51])[CH3:50]>>[CH3:35][C:29]1[C:30]([CH3:34])=[CH:31][CH:32]=[CH:33][C:28]=1[O:27][CH2:26][CH2:25][CH2:24][C:23]([N:18]1[C:19]2[C:14](=[C:13]([C:11]3[CH:10]=[N:9][N:8]([CH2:7][C:39]4[CH:30]=[C:29]([CH:35]=[CH:41][CH:40]=4)[C:28]([NH:43][CH2:44][CH2:45][NH:46][C:47](=[O:53])[O:48][C:49]([CH3:50])([CH3:52])[CH3:51])=[O:27])[CH:12]=3)[CH:22]=[CH:21][CH:20]=2)[CH2:15][CH2:16][CH2:17]1)=[O:36]