HRID1625222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1810216

3-Isoxazolamine

C3H4N2O

结构：CC(C)c1nn(-c2ccc(C#N)c(Nc3ccon3)c2)c2nccc(-c3cnc4ccccc4c3)c12

HCID67501199

未命名化合物

2 次

结构：CC(C)c1nn(-c2ccc(C#N)c(Br)c2)c2nccc(-c3cnc4ccccc4c3)c12

HCID67501775

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccon3)c2)c2nccc(-c3cnc4ccccc4c3)c12

HCID67501829

未命名化合物

收率 40%

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-(isoxazol-3-ylamino)benzonitrile was prepared using compound (6d) instead of compound (1e) and using 3-aminoisoxazole instead of trans-aminocyclohexanol and was used in the subsequent reaction without being purified. According to Example 1(7), compound (32) (the second stage yield: 40%) was prepared as a white solid using 4-{3-isopropyl-4-(quinolin-3-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-2-(isoxazol-3-ylamino)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-99b30980c6724f8b9cb8c3b61bb9a0c6
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08779142B2
来源说明: uspto-grants-2014_07

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:36]=[CH:35][O:34][N:33]=3)[CH:24]=2)[N:5]=1)([CH3:3])[CH3:2].BrC1C=C(N2C3=NC=CC(C4C=NC5C(C=4)=CC=CC=5)=C3C(C(C)C)=N2)C=CC=1C#N.NC1C=C[O:71]N=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:71])=[C:25]([NH:31][C:32]3[CH:36]=[CH:35][O:34][N:33]=3)[CH:24]=2)[N:5]=1)([CH3:3])[CH3:2]