HRID1181915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]

HCID3440921

Triphosphate

O10P3-5

结构：Cc1cn([C@H]2CC[C@@H](CC(F)(F)P(=O)(O)OP(=O)(O)NP(=O)(O)O)O2)c(=O)[nH]c1=O

HCID5279011

未命名化合物

结构：CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])[O-]

HCID21910867

未命名化合物

HCID178527063

未命名化合物

PRODUCTS

生成物

结构：Cc1cn([C@H]2CC[C@@H](CC(F)(F)P(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

HCID5279009

未命名化合物

PROCEDURE

实验过程

Following the procedure for the compound 63, starting from 102 mg (0.19 mmol) of the product 61 from Step C, using tri(n-butyl)ammonium pyrophosphate (246 mg), after 18 h (25% of the target triphosphate in mixture with 41% of the imidazolyl phosphonate intermediate as judged by LCMS) 12 mg of the titled compound 64 was isolated.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69374b4c6c3b468ab1d5ea844465fc9b
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07285658B2
来源说明: uspto-grants-2007_10

反应 SMILES

[CH3:1][C:2]1[C:8](=[O:9])[NH:7][C:5](=[O:6])[N:4]([C@@H:10]2[O:14][C@H:13]([CH2:15][C:16]([P:19]([O:22][P:23]([OH:30])(NP(O)(O)=O)=[O:24])([OH:21])=[O:20])([F:18])[F:17])[CH2:12][CH2:11]2)[CH:3]=1.[O-:31][P:32](OP([O-])([O-])=O)(=[O:34])[O-:33].C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.[O-:92]P(OP(OP([O-])([O-])=O)([O-])=O)(=O)[O-].P(=O)([O-])OC1NC=CN=1>>[CH3:1][C:2]1[C:8](=[O:9])[NH:7][C:5](=[O:6])[N:4]([C@@H:10]2[O:14][C@H:13]([CH2:15][C:16]([P:19]([O:22][P:23]([O:30][P:32]([OH:34])([OH:33])=[O:31])([OH:24])=[O:92])([OH:21])=[O:20])([F:17])[F:18])[CH2:12][CH2:11]2)[CH:3]=1