HRID921536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID577800

4-(pyrrolidin-1-ylcarbonyl)aniline

C11H14N2O

结构：CC(C)c1nn(-c2ccc(C#N)c(Nc3ccc(C(=O)N4CCCC4)cc3)c2)c2nccc(-c3cnc4ccccc4c3)c12

HCID67500765

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccc(C(=O)N4CCCC4)cc3)c2)c2nccc(-c3cnc4ccccc4c3)c12

HCID49872082

未命名化合物

收率 59%

PROCEDURE

实验过程

According to Example 1(6), 4-{3-isopropyl-4-(quinolin-3-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-2-{4-(pyrrolidine-1-carbonyl)phenylamino}benzonitrile was prepared using compound (6d) instead of compound (1e) and using (4-aminophenyl)(pyrrolidin-1-yl)methanone instead of trans-aminocyclohexanol and was used in the subsequent reaction without being purified. According to Example 1(7), compound (34) (the second stage yield: 59%) was prepared as a white solid using 4-{3-isopropyl-4-(quinolin-3-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-2-{4-(pyrrolidine-1-carbonyl)phenylamino}benzonitrile instead of compound (1f).

WORKUP

后处理

customwas prepared
customwas used in the subsequent reaction
customwithout being purified
customwas prepared as a white solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dacc2b4d3cd487aa40a363c3ed7bda2
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09273045B2
来源说明: uspto-grants-2016_03

反应 SMILES

[CH:1]([C:4]1[C:12]2[C:7](=[N:8][CH:9]=[CH:10][C:11]=2[C:13]2[CH:14]=[N:15][C:16]3[C:21]([CH:22]=2)=[CH:20][CH:19]=[CH:18][CH:17]=3)[N:6]([C:23]2[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[C:25]([NH:31][C:32]3[CH:37]=[CH:36][C:35]([C:38]([N:40]4[CH2:44][CH2:43][CH2:42][CH2:41]4)=[O:39])=[CH:34][CH:33]=3)[CH:24]=2)[N:5]=1)([CH3:3])[CH3:2].NC1C=CC(C(N2CCCC2)=[O:53])=CC=1>>[CH:1]([C:4]1[C:12]2[C:7](=[N:8][CH:9]=[CH:10][C:11]=2[C:13]2[CH:14]=[N:15][C:16]3[C:21]([CH:22]=2)=[CH:20][CH:19]=[CH:18][CH:17]=3)[N:6]([C:23]2[CH:30]=[CH:29][C:26]([C:27]([NH2:28])=[O:53])=[C:25]([NH:31][C:32]3[CH:37]=[CH:36][C:35]([C:38]([N:40]4[CH2:44][CH2:43][CH2:42][CH2:41]4)=[O:39])=[CH:34][CH:33]=3)[CH:24]=2)[N:5]=1)([CH3:3])[CH3:2]