HRID2279871

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(-c4cnn(CCCO)c4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58292892

未命名化合物

结构：CCOP(=O)(Cc1cc(OC)c(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)nc3C(=O)NC)n2)cc1Cl)OCC

HCID86697807

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOP(=O)(O)Cc1cc(OC)c(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)nc3C(=O)NC)n2)cc1Cl

HCID86697806

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Compound 1B replacing Compound 1C with diethyl (4-{[4-{[6-bromo-2-(methylcarbamoyl)pyridin-3-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-chloro-5-methoxybenzyl)phosphonate (Compound 56D). MS (ESI): m/z 681.02/683.27 [M+H]+. UPLC: tR=1.56 min (analytical—2 min).

WORKUP

后处理

customtR=1.56 min (analytical—2 min)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6c5206c7ef44a5eadb86aac87efbf3c
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

OCCCN1C=C(C2C=CC(NC3C(C(F)(F)F)=CN=C(NC4C=CC(CP(=O)(OCC)OCC)=CC=4OC)N=3)=C3C=2CN(C)C3=O)C=N1.[Br:50][C:51]1[N:56]=[C:55]([C:57](=[O:60])[NH:58][CH3:59])[C:54]([NH:61][C:62]2[C:67]([C:68]([F:71])([F:70])[F:69])=[CH:66][N:65]=[C:64]([NH:72][C:73]3[C:87]([O:88][CH3:89])=[CH:86][C:76]([CH2:77][P:78](=[O:85])([O:82]CC)[O:79][CH2:80][CH3:81])=[C:75]([Cl:90])[CH:74]=3)[N:63]=2)=[CH:53][CH:52]=1>>[Br:50][C:51]1[N:56]=[C:55]([C:57](=[O:60])[NH:58][CH3:59])[C:54]([NH:61][C:62]2[C:67]([C:68]([F:71])([F:70])[F:69])=[CH:66][N:65]=[C:64]([NH:72][C:73]3[C:87]([O:88][CH3:89])=[CH:86][C:76]([CH2:77][P:78](=[O:82])([OH:85])[O:79][CH2:80][CH3:81])=[C:75]([Cl:90])[CH:74]=3)[N:63]=2)=[CH:53][CH:52]=1