HRID857566

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)cc1

HCID21868437

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)cc1

HCID21868380

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-(4-methoxybenzyloxycarbonyl)-cytosin-1-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.70 (bs, 1H), 8.34 (m, 1H), 8.26 (m, 1H), 7.90 (d, 0.6H), 7.84 (d, 0.4H), 7.72 (m, 2H), 7.34 (d, 2H), 7.01 (t, 1H), 6.93 (d, 2H), 5.10 (s, 2H), 4.81 (s, 1.2H), 4.71 (s, 0.8H), 4.45 (s, 0.8H), 4.27 (s, 1.2H), 4.22 (t, 1.2H), 4.07 (t, 0.8H), 3.99 (t, 1.2H), 3.85 (t, 0.8H), 3.74 (s, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-221b290163d64a3f88443364abe79ab4
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:50]=[CH:49][C:32]([CH2:33][O:34][C:35]([NH:37][C:38]2[CH:43]=[CH:42][N:41]([CH2:44][C:45](O)=[O:46])[C:40](=[O:48])[N:39]=2)=[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:45](=[O:46])[CH2:44][N:41]2[CH:42]=[CH:43][C:38]([NH:37][C:35]([O:34][CH2:33][C:32]3[CH:49]=[CH:50][C:29]([O:28][CH3:27])=[CH:30][CH:31]=3)=[O:36])=[N:39][C:40]2=[O:48])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]