HRID857567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(COC(=O)Nc2ccn(CC(=O)O)c(=O)n2)cc1OC

HCID21868439

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)Nc2ccn(CC(=O)N3CCN(S(=O)(=O)c4nc5ccccc5s4)C(=O)C3)c(=O)n2)cc1OC

HCID21868418

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 [4-N-(3,4-dimethoxybenzyloxycarbonyl)-cytosin-1-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.73 (brs, 1H), 8.34 (m, 1H), 8.26 (m, 1H), 7.90 (d, 0.6H), 7.84 (d, 0.4H), 7.71 (m, 2H), 7.03 (s, 1H), 7.02 (t, 1H), 6.94 (s, 2H), 5.09 (s, 2H), 4.82 (s, 1.2H), 4.72 (s, 0.8H), 4.45 (s, 0.8H), 4.27 (s, 1.2H), 4.21 (t, 1.2H), 4.06 (t, 0.8H), 3.99 (t, 1.2H), 3.85 (t, 0.8H), 3.75(s, 3H), 3.74 (s, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffbf7e559bd644aa9216631614b8e789
来源数据集: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07145006B2
来源说明: uspto-grants-2006_12

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:30]=[C:31]([CH:48]=[CH:49][C:50]=1[O:51][CH3:52])[CH2:32][O:33][C:34]([NH:36][C:37]1[CH:42]=[CH:41][N:40]([CH2:43][C:44](O)=[O:45])[C:39](=[O:47])[N:38]=1)=[O:35]>>[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:44](=[O:45])[CH2:43][N:40]2[CH:41]=[CH:42][C:37]([NH:36][C:34]([O:33][CH2:32][C:31]3[CH:48]=[CH:49][C:50]([O:51][CH3:52])=[C:29]([O:28][CH3:27])[CH:30]=3)=[O:35])=[N:38][C:39]2=[O:47])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]