HRID1064623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)Cn1cnc2c(NC(=O)OCc3ccc4c(c3)OCO4)ncnc21

HCID21868383

未命名化合物

HCID21868443

Ethyl N-{2-[(1,3-benzothiazole-2-sulfonyl)amino]ethyl}glycinate

C13H17N3O4S2

PRODUCTS

生成物

结构：CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2c(NC(=O)OCc3ccc4c(c3)OCO4)ncnc21

HCID21868361

未命名化合物

收率 85%

PROCEDURE

实验过程

The title compound (2.96 g, 85%) was synthesized by the reaction of N-[2-(benzothiazole-2-sulfonylamino)-ethyl]-glycine ethyl ester (1.72 g, 5 mmol) and [6-N-(piperonyloxycarbonyl)-adenin-9-yl]-acetic acid (1.86 g, 5 mmol) as per the procedure of Example 20. 1H NMR (500 MHz; DMSO-d6) δ 10.63 (s, 1H), 8.98 (brs, 0.6H), 8.77 (brs, 0.4H), 8.57 (s, 0.4H), 8.52 (s, 0.6H), 8.29 (d, 1H), 8.27 (m, 1H), 8.17 (d, 1H), 7.65 (m, 2H), 7.04 (s, 1H), 6.94 (d, 1H), 6.90 (d, 1H), 6.01 (s, 2H), 5.36 (s, 1.2H), 5.15 (s, 0.8H), 5.10 (s, 2H), 4.45 (s, 0.8H), 4.17 (q, 0.8H), 4.07 (s, 1.2H), 4.01 (q, 1.2H), 3.70 (t, 1.2H), 3.48 (t, 1.2H), 3.41 (t, 0.8H), 3.22 (t, 0.8H), 1.23 (t, 1.2H), 1.12 (t, 1.8H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38acf898daf1465e9a1565c1e4a8f748
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

[CH2:1]([O:3][C:4](=[O:22])[CH2:5][NH:6][CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]2[CH:21]=[CH:20][CH:19]=[CH:18][C:16]=2[N:17]=1)(=[O:12])=[O:11])[CH3:2].[CH2:23]([O:33][C:34]([NH:36][C:37]1[N:45]=[CH:44][N:43]=[C:42]2[C:38]=1[N:39]=[CH:40][N:41]2[CH2:46][C:47](O)=[O:48])=[O:35])[C:24]1[CH:32]=[CH:31][C:30]2[O:29][CH2:28][O:27][C:26]=2[CH:25]=1>>[CH2:1]([O:3][C:4](=[O:22])[CH2:5][N:6]([CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]2[CH:21]=[CH:20][CH:19]=[CH:18][C:16]=2[N:17]=1)(=[O:12])=[O:11])[C:47](=[O:48])[CH2:46][N:41]1[CH:40]=[N:39][C:38]2[C:42]1=[N:43][CH:44]=[N:45][C:37]=2[NH:36][C:34]([O:33][CH2:23][C:24]1[CH:32]=[CH:31][C:30]2[O:29][CH2:28][O:27][C:26]=2[CH:25]=1)=[O:35])[CH3:2]