HRID2218617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)Cn1cnc2c(NC(=O)OCc3ccc4c(c3)OCO4)ncnc21

HCID21868383

未命名化合物

结构：O=C(O)C(F)(F)F.O=C1CNCCN1S(=O)(=O)c1nc2ccccc2s1

HCID68523551

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1)OCc1ccc2c(c1)OCO2

HCID21868453

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [6-N-(piperonyloxycarbonyl)-adenine-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.64 (s, 1H), 8.58 (s, 0.6H), 8.57 (s, 0.4H), 8.34 (m, 1H), 8.31 (s, 0.4H), 8.28 (s, 0.6H), 8.27 (m, 1H), 7.72 (m, 2H), 7.04 (s, 1H), 6.94 (d, 1H), 6.90 (d, 1H), 6.01 (s, 2H), 5.39 (s, 1.2H), 5.28 (s, 0.8H), 5.09 (s, 2H), 4.57 (s, 0.8H), 4.29 (m, 2.4H), 4.09 (t, 2H), 3.88 (t, 0.8H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a325955d5224c05841663a6e5cc81a3
来源数据集: uspto-grants-2008_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07411065B2
来源说明: uspto-grants-2008_08

反应 SMILES

FC(F)(F)C(O)=O.[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][NH:23][CH2:22][C:21]1=[O:26])(=[O:19])=[O:18].[CH2:27]([O:37][C:38]([NH:40][C:41]1[N:49]=[CH:48][N:47]=[C:46]2[C:42]=1[N:43]=[CH:44][N:45]2[CH2:50][C:51](O)=[O:52])=[O:39])[C:28]1[CH:36]=[CH:35][C:34]2[O:33][CH2:32][O:31][C:30]=2[CH:29]=1>>[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][N:23]([C:51](=[O:52])[CH2:50][N:45]2[CH:44]=[N:43][C:42]3[C:46]2=[N:47][CH:48]=[N:49][C:41]=3[NH:40][C:38]([O:37][CH2:27][C:28]2[CH:36]=[CH:35][C:34]3[O:33][CH2:32][O:31][C:30]=3[CH:29]=2)=[O:39])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]