HRID858044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734258

3-Fluorobenzenesulfonyl chloride

C6H4ClFO2S

结构：Nc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891737

未命名化合物

PRODUCTS

生成物

结构：O=c1c2[nH]c(Cc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)nc2n(CC2CC2)c(=O)n1Cc1ccccc1F

HCID10031078

未命名化合物

PROCEDURE

实验过程

Prepared from 8-(4-amino-benzyl)-3-cyclopropylmethyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione and 3-fluoro-benzenesulfonyl chloride. Tan solid; EI-HRMS m/e calculated for C29H25F2N5O4S (M+) 577.1595, found 577.1599.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f7e1ae327b74781a60faf9a4475fbdf
来源数据集: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07148229B2
来源说明: uspto-grants-2006_12

反应 SMILES

[NH2:1][C:2]1[CH:31]=[CH:30][C:5]([CH2:6][C:7]2[NH:15][C:14]3[C:13](=[O:16])[N:12]([CH2:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[F:24])[C:11](=[O:25])[N:10]([CH2:26][CH:27]4[CH2:29][CH2:28]4)[C:9]=3[N:8]=2)=[CH:4][CH:3]=1.[F:32][C:33]1[CH:34]=[C:35]([S:39](Cl)(=[O:41])=[O:40])[CH:36]=[CH:37][CH:38]=1>>[CH:27]1([CH2:26][N:10]2[C:9]3[N:8]=[C:7]([CH2:6][C:5]4[CH:4]=[CH:3][C:2]([NH:1][S:39]([C:35]5[CH:36]=[CH:37][CH:38]=[C:33]([F:32])[CH:34]=5)(=[O:41])=[O:40])=[CH:31][CH:30]=4)[NH:15][C:14]=3[C:13](=[O:16])[N:12]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[F:24])[C:11]2=[O:25])[CH2:28][CH2:29]1