HRID571508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID18364314

1,1,1-Trifluoropropan-2-amine--hydrogen chloride (1/1)

C3H7ClF3N

结构：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(c5ccc(C(=O)O)cc5)C4)c3)ncnc21

HCID71143612

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1)C(F)(F)F

HCID71143548

未命名化合物

PROCEDURE

实验过程

This compound was prepared as TFA salt by using procedures analogous to those described for the synthesis of Example 19, Step 3 started from 4-{3-(cyanomethyl)-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}benzoic acid and 1-methyl-2,2,2-trifluoroethylamine hydrochloride (SynQuest Labs: Cat. #93130-7-08). LCMS (M+H)+: m/z=495.2.

WORKUP

后处理

customthose described for the synthesis of Example 19, Step 3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-985a1ae25407424d9aba5ed88058ae79
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09023840B2
来源说明: uspto-grants-2015_05

反应 SMILES

C(O)(C(F)(F)F)=O.[C:8]([CH2:10][C:11]1([N:24]2[CH:28]=[C:27]([C:29]3[C:30]4[CH:37]=[CH:36][N:35](COCC[Si](C)(C)C)[C:31]=4[N:32]=[CH:33][N:34]=3)[CH:26]=[N:25]2)[CH2:14][N:13]([C:15]2[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][CH:16]=2)[CH2:12]1)#[N:9].Cl.[CH3:47][CH:48]([NH2:53])[C:49]([F:52])([F:51])[F:50]>>[C:8]([CH2:10][C:11]1([N:24]2[CH:28]=[C:27]([C:29]3[C:30]4[CH:37]=[CH:36][NH:35][C:31]=4[N:32]=[CH:33][N:34]=3)[CH:26]=[N:25]2)[CH2:14][N:13]([C:15]2[CH:23]=[CH:22][C:18]([C:19]([NH:53][CH:48]([CH3:47])[C:49]([F:52])([F:51])[F:50])=[O:21])=[CH:17][CH:16]=2)[CH2:12]1)#[N:9]