HRID921566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1nn(-c2ccc(C#N)cc2C=O)c2nccc(I)c12

HCID86664603

未命名化合物

结构：CC(C)c1nn(-c2ccc(C#N)cc2C=O)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12

HCID86664605

未命名化合物

HCID178478913

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nn(-c2ccc(C(N)=O)cc2C=O)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12

HCID86664604

未命名化合物

收率 17%

PROCEDURE

实验过程

According to Example 97(2), 3-formyl-4-{3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzonitrile was prepared using compound (125a) instead of compound (97a) and using 4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazole hydrochloride instead of 4-phenyl-1H-imidazole and was used in the subsequent reaction without being purified. According to Example 1(7), compound (125) (the second stage yield: 17%) was prepared as a white solid using 3-formyl-4-{(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}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-cd29d214c2434f818cfbacbf341c872a
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:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:10]=1[N:11]1[C:15]2=[N:16][CH:17]=[CH:18][C:19]([N:20]3[CH:24]=[C:23]([C:25]4[CH:26]=[N:27][N:28]([CH3:30])[CH:29]=4)[N:22]=[CH:21]3)=[C:14]2[C:13]([CH:31]([CH3:33])[CH3:32])=[N:12]1)[C:6]#[N:7])=[O:2].C(C1C=C(C=CC=1N1C2=NC=CC(I)=C2C(C(C)C)=N1)C#N)=[O:35].Cl.CN1C=C(C2N=CNC=2)C=N1>>[CH:1]([C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:10]=1[N:11]1[C:15]2=[N:16][CH:17]=[CH:18][C:19]([N:20]3[CH:24]=[C:23]([C:25]4[CH:26]=[N:27][N:28]([CH3:30])[CH:29]=4)[N:22]=[CH:21]3)=[C:14]2[C:13]([CH:31]([CH3:33])[CH3:32])=[N:12]1)[C:6]([NH2:7])=[O:35])=[O:2]