HRID1947915

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(F)cc3C(=O)NC)n2)c(OC)c1)OCC

HCID49822431

未命名化合物

HCID86633861

未命名化合物

2 次

HCID86654022

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOP(=O)(Cc1cc(F)c(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)NC)n2)c(OC)c1)OCC

HCID58292898

Diethyl (3-fluoro-5-methoxy-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

C25H28F4N5O5P

PROCEDURE

实验过程

The title compound was prepared using the procedure from Example 102 (Diethyl (4-{[4-{[4-fluoro-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate) with 2-{[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino}-N-methylbenzamide (Compound 104A) and Diethyl (4-amino-3-fluoro-5-methoxybenzyl)phosphonate (Compound 146A). 1H NMR (CD3OD, 400 MHz): δ=1.30 (t, J=7.07 Hz, 6H), 2.90 (s, 3H), 3.33-3.40 (m, 2H), 3.85 (s, 3H), 4.06-4.18 (m, 4H), 6.88 (dt, J=10.11, 2.02 Hz, 1H), 6.95 (s, 1H), 7.17 (br. s., 1H), 7.37 (br. s., 1H), 7.64 (d, J=6.82 Hz, 1H), 8.29 (br. s., 2H). MS (ES+): m/z 586.21 [MH+] (TOF, polar).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a91d67d6b34778a0cd439860f0209a
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

F[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][C:21]=3[O:35][CH3:36])[N:10]=2)=[C:4]([C:37](=[O:40])[NH:38][CH3:39])[CH:3]=1.ClC1N=C(NC2C=CC=CC=2C(NC)=O)C(C(F)(F)[F:60])=CN=1.NC1C(OC)=CC(CP(=O)(OCC)OCC)=CC=1F>>[F:60][C:34]1[CH:33]=[C:23]([CH:22]=[C:21]([O:35][CH3:36])[C:20]=1[NH:19][C:11]1[N:10]=[C:9]([NH:8][C:5]2[CH:6]=[CH:7][CH:2]=[CH:3][C:4]=2[C:37](=[O:40])[NH:38][CH3:39])[C:14]([C:15]([F:18])([F:16])[F:17])=[CH:13][N:12]=1)[CH2:24][P:25](=[O:32])([O:29][CH2:30][CH3:31])[O:26][CH2:27][CH3:28]