HRID2279862

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

HCID86697686

未命名化合物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(OC)c1Cl)OCC

HCID86697800

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)nc3C(=O)NC)n2)c(OC)c1Cl)OCC

HCID86697799

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Compound 1B with diethyl (2-chloro-4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (Compound 54D) and compound 6D. MS (ESI): m/z 681.34/683.34 [M+H]+. UPLC: tR=1.51 min (UPLC-SQD: analytical—2 min).

WORKUP

后处理

customtR=1.51 min (UPLC-SQD: analytical—2 min)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2fdd3f1b397468a8e73dceb715ef606
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.[Cl:50][C:51]1[C:65]([O:66][CH3:67])=[C:64]([NH:68][C:69]2[N:74]=[C:73](Cl)[C:72]([C:76]([F:79])([F:78])[F:77])=[CH:71][N:70]=2)[CH:63]=[CH:62][C:52]=1[CH2:53][P:54](=[O:61])([O:58][CH2:59][CH3:60])[O:55][CH2:56][CH3:57].[NH2:80][C:81]1[C:82]([C:88]([NH:90][CH3:91])=[O:89])=[N:83][C:84]([Br:87])=[CH:85][CH:86]=1>>[Br:87][C:84]1[N:83]=[C:82]([C:88](=[O:89])[NH:90][CH3:91])[C:81]([NH:80][C:73]2[C:72]([C:76]([F:79])([F:78])[F:77])=[CH:71][N:70]=[C:69]([NH:68][C:64]3[CH:63]=[CH:62][C:52]([CH2:53][P:54](=[O:61])([O:58][CH2:59][CH3:60])[O:55][CH2:56][CH3:57])=[C:51]([Cl:50])[C:65]=3[O:66][CH3:67])[N:74]=2)=[CH:86][CH:85]=1