HRID1049148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：C[C@H](NC(=O)c1cnc(N2CC(CC#N)(n3cc(B4OC(C)(C)C(C)(C)O4)cn3)C2)cn1)C(F)(F)F

HCID123698091

未命名化合物

HCID178438033

未命名化合物

PRODUCTS

生成物

结构：CCc1n[nH]cc1-c1cnn(C2(CC#N)CN(c3cnc(C(=O)N[C@@H](C)C(F)(F)F)cn3)C2)c1.O=C(O)C(F)(F)F

HCID178438035

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 4, Step 6 starting from 5-{3-(cyanomethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide (Example 1, Step 5) and 4-bromo-3-ethyl-1H-pyrazole. LCMS calculated for C21H23F3N9O (M+1)+: m/z=474.2. Found: 474.0.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a4ea57b07b44b5c9ba9cd86bcbf4137
来源数据集: uspto-grants-2016_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09382231B2
来源说明: uspto-grants-2016_07

反应 SMILES

[C:1]([OH:7])([C:3]([F:6])([F:5])[F:4])=[O:2].[C:8]([CH2:10][C:11]1([N:30]2[CH:34]=[C:33](B3OC(C)(C)C(C)(C)O3)[CH:32]=[N:31]2)[CH2:14][N:13]([C:15]2[N:16]=[CH:17][C:18]([C:21]([NH:23][C@@H:24]([CH3:29])[C:25]([F:28])([F:27])[F:26])=[O:22])=[N:19][CH:20]=2)[CH2:12]1)#[N:9].Br[C:45]1[C:46]([CH2:50][CH3:51])=[N:47][NH:48][CH:49]=1>>[F:4][C:3]([F:6])([F:5])[C:1]([OH:7])=[O:2].[C:8]([CH2:10][C:11]1([N:30]2[CH:34]=[C:33]([C:45]3[C:46]([CH2:50][CH3:51])=[N:47][NH:48][CH:49]=3)[CH:32]=[N:31]2)[CH2:14][N:13]([C:15]2[N:16]=[CH:17][C:18]([C:21]([NH:23][C@@H:24]([CH3:29])[C:25]([F:28])([F:26])[F:27])=[O:22])=[N:19][CH:20]=2)[CH2:12]1)#[N:9]