HRID1794961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21

HCID15480514

(6-{[(Benzyloxy)carbonyl]amino}-9H-purin-9-yl)acetic acid

C15H13N5O4

结构：Cl.O=C1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID68802440

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)C1)OCc1ccccc1

HCID22222434

4-{[6-N-(Benzyloxycarbonyl)-adenin-9-yl]acetyl}-(2-nitro-benzenesulfonyl)-piperazin-2-one

C25H22N8O8S

收率 61.5%

PROCEDURE

实验过程

The title compound (731 mg, 61%) was synthesized by reaction of 1-(2-nitro-benzenesulfonyl)-piperazin-2-one HCl salt (644 mg, 2.0 mmol) with [6-N-(benzyloxycarbonyl)-adenin-9-yl]-acetic acid (655 mg, 2.0 mmol) as per the procedure of example 77. 1H NMR (DMSO-d6) δ 10.69 (s, 1H), 9.00 (m, 1H), 8.71 (m, 1H), 8.63˜8.58 (m, 2H), 8.31 (s, 0.6H), 8.29 (s, 0.4H), 7.47˜7.33 (m, 5H), 5.39 (s, 1.2H), 5.29 (s, 0.8H), 5.21 (s, 2H), 4.57 (s, 0.8H), 4.29 (s, 1.2H), 4.15˜4.09 (m, 2.4H), 3.93˜3.86 (m, 1.6H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77c2581082384ec6acafb266507a176d
来源数据集: uspto-grants-2006_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07022851B2
来源说明: uspto-grants-2006_04

反应 SMILES

Cl.[N+:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[S:11]([N:14]1[CH2:19][CH2:18][NH:17][CH2:16][C:15]1=[O:20])(=[O:13])=[O:12])([O-:4])=[O:3].[CH2:21]([O:28][C:29]([NH:31][C:32]1[N:40]=[CH:39][N:38]=[C:37]2[C:33]=1[N:34]=[CH:35][N:36]2[CH2:41][C:42](O)=[O:43])=[O:30])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>>[CH2:21]([O:28][C:29]([NH:31][C:32]1[N:40]=[CH:39][N:38]=[C:37]2[C:33]=1[N:34]=[CH:35][N:36]2[CH2:41][C:42]([N:17]1[CH2:18][CH2:19][N:14]([S:11]([C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[N+:2]([O-:4])=[O:3])(=[O:12])=[O:13])[C:15](=[O:20])[CH2:16]1)=[O:43])=[O:30])[C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1