HRID1064643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21868391

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：CSCCOC(=O)Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1

HCID21868401

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-(2-methylthioethoxycarbonyl)-adenine-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.80 (brs, 1H), 8.61 (d, 1H), 8.42 (s, 0.6H), 8.39 (s, 0.4H), 8.35 (m, 1H), 8.27 (m, 1H), 7.73 (m, 2H), 5.42 (s, 1.2H), 5.30 (s, 0.8H), 4.57 (s, 0.8H), 4.34-4.25 (m, 4.4H), 4.09 (m, 2.0H), 3.88 (t, 0.8H), 2.79 (t, 2H), 2.13 (s, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2e195d496774895bfaf314ca92d54c9
来源数据集: uspto-grants-2005_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06969766B2
来源说明: uspto-grants-2005_11

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].[CH3:27][S:28][CH2:29][CH2:30][O:31][C:32]([NH:34][C:35]1[N:43]=[CH:42][N:41]=[C:40]2[C:36]=1[N:37]=[CH:38][N:39]2[CH2:44][C:45](O)=[O:46])=[O:33]>>[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:45](=[O:46])[CH2:44][N:39]2[CH:38]=[N:37][C:36]3[C:40]2=[N:41][CH:42]=[N:43][C:35]=3[NH:34][C:32]([O:31][CH2:30][CH2:29][S:28][CH3:27])=[O:33])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]