HRID1497807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID563

3-Methylthiopropionate

C4H8O2S

结构：Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(N)nc2c1-c1cccc(C(F)(F)F)c1

HCID73050976

未命名化合物

PRODUCTS

生成物

结构：CSCCC(=O)Nc1nc2c(-c3cccc(C(F)(F)F)c3)c(C)c(-c3ccnn3-c3ccc(C#N)cc3)cn2n1

HCID86708114

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 4-{5-[2-amino-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrile (Ex. 1, 100 mg, 0.218 mmol) and 3-methylsulfanyl-propionic acid (45 μL, 0.436 mmol) by a similar method to that employed in Example 16 (130 mg).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40c97a653d974d229baabd5ed2320735
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09199984B2
来源说明: uspto-grants-2015_12

反应 SMILES

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