HRID2279913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5238

Sodium Iodide

INa

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)nc3C(=O)NC)n2)c(OC)c1)OC(C)C

HCID86697852

未命名化合物

2 次

PRODUCTS

生成物

结构：CNC(=O)c1nc(Br)ccc1Nc1nc(Nc2ccc(CP(=O)(O)OC(C)C)cc2OC)ncc1C(F)(F)F

HCID86697851

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

CONDITIONS

反应条件

温度: 120 °C

PROCEDURE

实验过程

A solution of ethyl propan-2-yl (4-{[4-{[6-bromo-2-(methylcarbamoyl)pyridin-3-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (Compound 72C, 550.0 mg, 0.83 mmol) in pyridine (5.50 mL) was charged with sodium iodide (748 mg, 4.99 mmol). The reaction was heated at 120° C. for 24 hours.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32d62d88558643a0b40983059cb6725c
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09133224B2
来源说明: uspto-grants-2015_09

反应 SMILES

[Br:1][C:2]1[N:7]=[C:6]([C:8](=[O:11])[NH:9][CH3:10])[C:5]([NH:12][C:13]2[C:18]([C:19]([F:22])([F:21])[F:20])=[CH:17][N:16]=[C:15]([NH:23][C:24]3[CH:39]=[CH:38][C:27]([CH2:28][P:29](=[O:37])([O:33][CH:34]([CH3:36])[CH3:35])[O:30]CC)=[CH:26][C:25]=3[O:40][CH3:41])[N:14]=2)=[CH:4][CH:3]=1.[I-].[Na+]>N1C=CC=CC=1>[Br:1][C:2]1[N:7]=[C:6]([C:8](=[O:11])[NH:9][CH3:10])[C:5]([NH:12][C:13]2[C:18]([C:19]([F:22])([F:20])[F:21])=[CH:17][N:16]=[C:15]([NH:23][C:24]3[CH:39]=[CH:38][C:27]([CH2:28][P:29](=[O:30])([OH:37])[O:33][CH:34]([CH3:35])[CH3:36])=[CH:26][C:25]=3[O:40][CH3:41])[N:14]=2)=[CH:4][CH:3]=1