HRID1947954

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-1 H-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-c1c3de1a5424473580f74afb95edc454
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08399433B2
来源说明: uspto-grants-2013_03

反应 SMILES

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