HRID1348985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1

HCID21092774

未命名化合物

结构：COc1ccc(COC(=O)Nc2nc3c(ncn3CC(=O)O)c(=O)[nH]2)cc1

HCID136045990

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1)C(=O)Cn1cnc2c(=O)[nH]c(NC(=O)OCc3ccc(OC)cc3)nc21

HCID136338634

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized by the reaction of N-{2-[5-(4-chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-glycine ethyl ester with [2-N-(4-methoxybenzyloxycarbonyl)-guanin-9-yl]-acetic acid as per the procedure of example 13. 1H NMR (500 MHz; DMSO-d6) δ 11.39 (brs, 0.45H), 11.36 (brs, 0.55H), 9.20 (brs, 1H), 8.39 (s, 1H), 8.01 (d, 1H), 7.95 (d, 0.55H), 7.92 (d, 0.45H), 7.82 (s, 0.55H), 7.79 (s, 0.45H), 7.37 (d, 2H), 6.95 (d, 2H), 5.17 (s, 2H), 5.13 (s, 1.1H), 4.93 (s, 0.9H), 4.45 (s, 0.9H), 4.21 (q, 0.9H), 4.08 (s, 1.1H), 4.07 (q, 1.1H), 3.76 (s, 3H), 3.66 (t, 1.1H), 3.49 (t, 1.1H), 3.43 (t, 0.9H), 3.28 (t, 0.9H), 1.25 (t, 1.35H), 1.16 (t, 1.65H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c874c46e62ca41ee8c3940a0c84b9d2b
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07211668B2
来源说明: uspto-grants-2007_05

反应 SMILES

[CH2:1]([O:3][C:4](=[O:28])[CH2:5][NH:6][CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=2[N+:25]([O-:27])=[O:26])=[N:16][N:17]=1)(=[O:12])=[O:11])[CH3:2].[CH3:29][O:30][C:31]1[CH:55]=[CH:54][C:34]([CH2:35][O:36][C:37]([NH:39][C:40]2[NH:41][C:42](=[O:53])[C:43]3[N:44]=[CH:45][N:46]([CH2:49][C:50](O)=[O:51])[C:47]=3[N:48]=2)=[O:38])=[CH:33][CH:32]=1>>[CH2:1]([O:3][C:4](=[O:28])[CH2:5][N:6]([CH2:7][CH2:8][NH:9][S:10]([C:13]1[S:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=2[N+:25]([O-:27])=[O:26])=[N:16][N:17]=1)(=[O:12])=[O:11])[C:50](=[O:51])[CH2:49][N:46]1[CH:45]=[N:44][C:43]2[C:42](=[O:53])[NH:41][C:40]([NH:39][C:37]([O:36][CH2:35][C:34]3[CH:54]=[CH:55][C:31]([O:30][CH3:29])=[CH:32][CH:33]=3)=[O:38])=[N:48][C:47]1=2)[CH3:2]