HRID511409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)cc3C(=O)NC)n2)cc1)OCC

HCID49821189

未命名化合物

结构：CCN(CC)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204670

N,N-Diethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-amine

C15H28BN3O2

2 次

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCN(CC)CC)c4)cc3C(=O)NC)n2)cc1)OCC

HCID58292980

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure of Example 97 using Diethyl (4-{[4-{[4-bromo-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate (Example 106) and N,N-diethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine (Compound 175A). MS (ES+): m/z 703.45 (100) [MH+; HPLC: tR=0.73 min (UPLC, purity).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed68ad01f7594914a9283081cee4d91a
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09096624B2
来源说明: uspto-grants-2015_08

反应 SMILES

Br[C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[C:14]([C:15]([F:18])([F:17])[F:16])=[CH:13][N:12]=[C:11]([NH:19][C:20]3[CH:34]=[CH:33][C:23]([CH2:24][P:25](=[O:32])([O:29][CH2:30][CH3:31])[O:26][CH2:27][CH3:28])=[CH:22][CH:21]=3)[N:10]=2)=[C:4]([C:35](=[O:38])[NH:36][CH3:37])[CH:3]=1.[CH2:39]([N:41]([CH2:58][CH3:59])[CH2:42][CH2:43][N:44]1[CH:48]=[C:47](B2OC(C)(C)C(C)(C)O2)[CH:46]=[N:45]1)[CH3:40]>>[CH2:58]([N:41]([CH2:39][CH3:40])[CH2:42][CH2:43][N:44]1[CH:48]=[C:47]([C:2]2[CH:7]=[CH:6][C:5]([NH:8][C:9]3[C:14]([C:15]([F:16])([F:18])[F:17])=[CH:13][N:12]=[C:11]([NH:19][C:20]4[CH:34]=[CH:33][C:23]([CH2:24][P:25](=[O:32])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])=[CH:22][CH:21]=4)[N:10]=3)=[C:4]([C:35](=[O:38])[NH:36][CH3:37])[CH:3]=2)[CH:46]=[N:45]1)[CH3:59]