HRID511355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86633861

未命名化合物

2 次

HCID86654024

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)NC)n2)c(OC)c1F)OCC

HCID58292928

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure from Example 102 using 2-{[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino}-N-methylbenzamide (Compound 104A) and Diethyl (4-amino-2-fluoro-3-methoxybenzyl)phosphonate (Compound 147A). 1H NMR (CD3OD, 400 MHz): δ=1.26-1.36 (m, 6 H), 1.44 (t, J=6.95 Hz, 3 H), 3.32-3.39 (m, 2 H), 4.04-4.15 (m, 4 H), 4.22 (q, J=7.07 Hz, 2 H), 7.00 (dd, J=8.34, 1.77 Hz, 1 H), 7.21 (d, J=1.77 Hz, 1 H), 7.75 (d, J=8.34 Hz, 1 H). MS (ES+): m/z 586.14 [MH+] (TOF, polar).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aa3dd7b666847f0b74ce55ecce67322
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

Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:18]=[CH:17][CH:16]=[CH:15][C:10]=2[C:11]([NH:13][CH3:14])=[O:12])[C:5]([C:19]([F:22])([F:21])[F:20])=[CH:4][N:3]=1.[NH2:23][C:24]1[CH:38]=[CH:37][C:27]([CH2:28][P:29](=[O:36])([O:33][CH2:34][CH3:35])[O:30][CH2:31][CH3:32])=[C:26]([F:39])[C:25]=1[O:40][CH3:41]>>[F:39][C:26]1[C:25]([O:40][CH3:41])=[C:24]([NH:23][C:2]2[N:7]=[C:6]([NH:8][C:9]3[CH:18]=[CH:17][CH:16]=[CH:15][C:10]=3[C:11](=[O:12])[NH:13][CH3:14])[C:5]([C:19]([F:22])([F:21])[F:20])=[CH:4][N:3]=2)[CH:38]=[CH:37][C:27]=1[CH2:28][P:29](=[O:36])([O:33][CH2:34][CH3:35])[O:30][CH2:31][CH3:32]