HRID2279877

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

PRODUCTS

生成物

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

HCID86697815

未命名化合物

PROCEDURE

实验过程

This material was prepared analogously to Compound 1B replacing Compound 1C with Compound 6D and Compound 1 E with Compound 24C. MS (ES+): m/z 651.22/653.22 (MH+). UPLC: tR=1.48 min (UPLC-SQD: analytical—2 min).

WORKUP

后处理

customtR=1.48 min (UPLC-SQD: analytical—2 min)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2af8284d6da24739b9deede053ff00d2
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.[NH2:50][C:51]1[C:52]([C:58]([NH:60][CH3:61])=[O:59])=[N:53][C:54]([Br:57])=[CH:55][CH:56]=1.C(OP1(=O)CC2C=CC(=CC=2)NC2=NC(=C(C(F)(F)F)C=N2)NC2C=CC(=NC=2C(NC)=O)C2=CN(N=C2)CCCCO1)C.[Cl:106][C:107]1[CH:108]=[C:109]([CH:119]=[CH:120][C:121]=1[NH:122][C:123]1[N:128]=[C:127](Cl)[C:126]([C:130]([F:133])([F:132])[F:131])=[CH:125][N:124]=1)[CH2:110][P:111](=[O:118])([O:115][CH2:116][CH3:117])[O:112][CH2:113][CH3:114]>>[Br:57][C:54]1[N:53]=[C:52]([C:58](=[O:59])[NH:60][CH3:61])[C:51]([NH:50][C:127]2[C:126]([C:130]([F:131])([F:132])[F:133])=[CH:125][N:124]=[C:123]([NH:122][C:121]3[CH:120]=[CH:119][C:109]([CH2:110][P:111](=[O:118])([O:115][CH2:116][CH3:117])[O:112][CH2:113][CH3:114])=[CH:108][C:107]=3[Cl:106])[N:128]=2)=[CH:56][CH:55]=1