HRID1049149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

反应SMILES：C[C@H](NC(=O)c1cc(F)c(N2CC(CC#N)(n3cc(B4OC(C)(C)C(C)(C)O4)cn3)C2)cc1F)C(F)(F)F

HCID131736000

未命名化合物

HCID178520055

未命名化合物

PRODUCTS

产物

反应SMILES：C[C@H](NC(=O)c1cc(F)c(N2CC(CC#N)(n3cc(-c4c[nH]nc4CO)cn3)C2)cc1F)C(F)(F)F.O=C(O)C(F)(F)F

HCID178462101

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 4-{3-(cyanomethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]benzamide and (4-bromo-1H-pyrazol-3-yl)methanol. LCMS calculated for C22H21F5N7O2 (M+1)+: m/z=510.2. Found: 510.0.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-329fea9c0b63432caa0d150a0b8783d0
来源数据集: uspto-grants-2016_07
DOI: 10.6084/m9.figshare.5104873.v1
专利号: 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:32]2[CH:36]=[C:35](B3OC(C)(C)C(C)(C)O3)[CH:34]=[N:33]2)[CH2:14][N:13]([C:15]2[C:29]([F:30])=[CH:28][C:18]([C:19]([NH:21][C@@H:22]([CH3:27])[C:23]([F:26])([F:25])[F:24])=[O:20])=[C:17]([F:31])[CH:16]=2)[CH2:12]1)#[N:9].Br[C:47]1[C:48]([CH2:52][OH:53])=[N:49][NH:50][CH:51]=1>>[F:4][C:3]([F:6])([F:5])[C:1]([OH:7])=[O:2].[C:8]([CH2:10][C:11]1([N:32]2[CH:36]=[C:35]([C:47]3[C:48]([CH2:52][OH:53])=[N:49][NH:50][CH:51]=3)[CH:34]=[N:33]2)[CH2:12][N:13]([C:15]2[C:29]([F:30])=[CH:28][C:18]([C:19]([NH:21][C@@H:22]([CH3:27])[C:23]([F:26])([F:24])[F:25])=[O:20])=[C:17]([F:31])[CH:16]=2)[CH2:14]1)#[N:9]