HRID1641897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@H]3C=C[C@@H](O)C3)c2n1

HCID66630570

未命名化合物

结构：CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C1

HCID86622637

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OC)nc32)C1

HCID66631061

未命名化合物

PROCEDURE

实验过程

This compound is prepared by an analogous procedure to carbonic acid (1S,4R)-4-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-cyclopent-2-enyl ester ethyl ester (Intermediate AA3) by replacing (1S,4R)-4-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-cyclopent-2-enol with 6-(2,2-diphenyl-ethylamino)-9-((1R,4S)-4-hydroxy-cyclopent-2-enyl)-9H-purine-2-carboxylic acid methyl ester (step 2) MS (ES+) m/e 528.3 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1168f93afb240618a1f764cfc9096a9
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08114877B2
来源说明: uspto-grants-2012_02

反应 SMILES

[CH2:1]([O:3][C:4](=[O:36])[O:5][C@H:6]1[CH2:10][C@@H:9]([N:11]2[CH:19]=[N:18][C:17]3[C:12]2=[N:13][C:14](Cl)=[N:15][C:16]=3[NH:20][CH2:21][CH:22]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH:8]=[CH:7]1)[CH3:2].[CH3:37][O:38][C:39](C1N=C2C(N=CN2[C@@H]2C[C@H](O)C=C2)=C(NCC(C2C=CC=CC=2)C2C=CC=CC=2)N=1)=[O:40]>>[CH3:37][O:38][C:39]([C:14]1[N:13]=[C:12]2[C:17]([N:18]=[CH:19][N:11]2[C@@H:9]2[CH2:10][C@H:6]([O:5][C:4]([O:3][CH2:1][CH3:2])=[O:36])[CH:7]=[CH:8]2)=[C:16]([NH:20][CH2:21][CH:22]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[N:15]=1)=[O:40]