HRID1064635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)Cn1ccc(NC(=O)OCc2ccc3c(c2)OCO3)nc1=O

HCID21868368

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(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)OCc1ccc2c(c1)OCO2

HCID21868424

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-(piperonyloxycarbonyl)-cytosin-1-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.76 (brs, 1H), 8.36 (m, 1H), 8.28 (m, 1H), 7.92 (d, 0.6H), 7.86 (d, 0.4H), 7.73 (m, 2H), 7.03 (t, 1H), 7.00 (s, 1H), 6.92 (s, 2H), 6.03 (s, 2H), 5.08 (s, 2H), 4.84 (s, 1.2H), 4.74 (s, 0.8H), 4.47 (s, 0.8H), 4.30 (s, 1.2H), 4.24 (t, 1.2H), 4.08 (t, 0.8H), 4.01 (t, 1.2H), 3.89 (t, 0.8H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df3c903a0bce41538b0435789df83959
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].[CH2:27]([O:37][C:38]([NH:40][C:41]1[CH:46]=[CH:45][N:44]([CH2:47][C:48](O)=[O:49])[C:43](=[O:51])[N:42]=1)=[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:48](=[O:49])[CH2:47][N:44]2[CH:45]=[CH:46][C:41]([NH:40][C:38]([O:37][CH2:27][C:28]3[CH:36]=[CH:35][C:34]4[O:33][CH2:32][O:31][C:30]=4[CH:29]=3)=[O:39])=[N:42][C:43]2=[O:51])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]