HRID511386

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(C#N)c4c3C(=O)N(C)C4)n2)cc1)OCC

HCID58292876

未命名化合物

结构：COc1cc(CP(=O)([O-])[O-])ccc1Nc1ncc(C(F)(F)F)c(Nc2ccc(Br)c3c2C(=O)N(C)C3)n1

HCID86654028

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C#N)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58292947

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure for Diethyl [4-({4-[(7-cyano-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate (Example 161) using [4-({4-[(7-bromo-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methoxybenzyl]phosphonate. MS (ES+): m/z 605.19 (100) [MH+]; HPLC: tR=1.09 min (UPLC, purity).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dab1d830175c44cfb6a4f23177466c64
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

[C:1]([C:3]1[CH:4]=[CH:5][C:6]([NH:14][C:15]2[C:20]([C:21]([F:24])([F:23])[F:22])=[CH:19][N:18]=[C:17]([NH:25][C:26]3[CH:40]=[CH:39][C:29]([CH2:30][P:31](=[O:38])([O:35][CH2:36][CH3:37])[O:32][CH2:33][CH3:34])=[CH:28][CH:27]=3)[N:16]=2)=[C:7]2[C:11]=1[CH2:10][N:9]([CH3:12])[C:8]2=[O:13])#[N:2].BrC1C=CC(NC2C(C(F)(F)F)=CN=C(NC3C=CC(CP(=O)([O-])[O-])=CC=3OC)N=2)=C2C=1CN(C)[C:47]2=[O:52]>>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([NH:14][C:15]2[C:20]([C:21]([F:24])([F:23])[F:22])=[CH:19][N:18]=[C:17]([NH:25][C:26]3[CH:40]=[CH:39][C:29]([CH2:30][P:31](=[O:38])([O:35][CH2:36][CH3:37])[O:32][CH2:33][CH3:34])=[CH:28][C:27]=3[O:52][CH3:47])[N:16]=2)=[C:7]2[C:11]=1[CH2:10][N:9]([CH3:12])[C:8]2=[O:13])#[N:2]