HRID349645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(COC(=O)Nc2ncnc3c2ncn3CC(=O)O)cc1

HCID21868398

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：COc1ccc(COC(=O)Nc2ncnc3c2ncn3CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)cc1

HCID21868423

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-(4-methoxybenzyloxycarbonyl)-adenine-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.60 (bs, 1H), 8.59 (d, 1H), 8.34 (m, 2H), 8.27 (m, 1H), 7.72 (m, 2H), 7.38 (d, 2H), 6.94 (d, 2H), 5.40 (s, 1.2H), 5.28 (s, 0.8H), 5.14 (s, 2H), 4.56 (s, 0.8H), 4.28 (m, 2.4H), 4.09 (t, 2H), 3.87 (t, 0.8H), 3.75 (s, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37f67c612384a4ebe7ca323b3ddd484
来源数据集: uspto-grants-2007_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07179896B2
来源说明: uspto-grants-2007_02

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][O:28][C:29]1[CH:52]=[CH:51][C:32]([CH2:33][O:34][C:35]([NH:37][C:38]2[N:46]=[CH:45][N:44]=[C:43]3[C:39]=2[N:40]=[CH:41][N:42]3[CH2:47][C:48](O)=[O:49])=[O:36])=[CH:31][CH:30]=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:48](=[O:49])[CH2:47][N:42]2[CH:41]=[N:40][C:39]3[C:43]2=[N:44][CH:45]=[N:46][C:38]=3[NH:37][C:35]([O:34][CH2:33][C:32]2[CH:51]=[CH:52][C:29]([O:28][CH3:27])=[CH:30][CH:31]=2)=[O:36])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]