HRID2382453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736707

Isoxazole-5-carbonyl chloride

C4H2ClNO2

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

HCID86622630

未命名化合物

PRODUCTS

生成物

结构：O=C(N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1ccno1

HCID86622645

未命名化合物

PROCEDURE

实验过程

This compound is prepared analogously to N-{(1S,2R,3S,4R)-4-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-propionamide (Intermediate JJ4) by replacing propionyl chloride with isoxazole-5-carbonyl chloride. (MH+ 560.28)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c83c24179cc04d98a83681ee1a23229a
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08258141B2
来源说明: uspto-grants-2012_09

反应 SMILES

[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[C@@H:11]2[CH2:15][C@H:14]([NH:16][C:17](=[O:20])[CH2:18][CH3:19])[C@@H:13]([OH:21])[C@H:12]2[OH:22])=[C:4]([NH:23][CH2:24][CH:25]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[N:3]=1.[O:38]1C(C(Cl)=O)=C[CH:40]=[N:39]1>>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[C@@H:11]2[CH2:15][C@H:14]([NH:16][C:17]([C:18]3[O:38][N:39]=[CH:40][CH:19]=3)=[O:20])[C@@H:13]([OH:21])[C@H:12]2[OH:22])=[C:4]([NH:23][CH2:24][CH:25]([C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=2)[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)[N:3]=1