HRID1241967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCNc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

HCID20626666

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(=O)OC(C)(C)C)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID73855084

未命名化合物

PROCEDURE

实验过程

In a manner similar to Example 30, intermediate 4-ethylamino-3-nitrobenzoic acid tert-butyl ester was hydrogenated and then condensed with 3-benzyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-2-methylthio-4-oxo-2-thiazolium p-toluenesulfonate to afford the title compound. 1H-NMR (CDCl3): δ 7.69 (1H, dd), 7.61 (1H, d), 7.52 (1H, dd), 7.45–7.49 (2H, m), 7.27–7.37 (4H, m), 7.18 (1H, m), 7.06 (1H, d), 6.51 (1H, d), 5.19 (2H, s), 4.11 (1H, br t), 3.79 (3H, s), 3.04 (2H, m), 1.57 (9H, s), 1.04 (3H, t); MS(ESI): 573 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89812814e2ff416e9bd9d10d90ba564b
来源数据集: uspto-grants-2006_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07115640B2
来源说明: uspto-grants-2006_10

反应 SMILES

[C:1]([O:5][C:6](=[O:19])[C:7]1[CH:12]=[CH:11][C:10]([NH:13][CH2:14][CH3:15])=[C:9]([N+:16]([O-])=O)[CH:8]=1)([CH3:4])([CH3:3])[CH3:2].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[CH2:31]([N:38]1[C:42](=[O:43])[C:41](=[C:44]2[N:48]([CH3:49])[C:47]3[CH:50]=[CH:51][CH:52]=[CH:53][C:46]=3[S:45]2)[S:40][CH2+:39]1SC)[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[C:1]([O:5][C:6](=[O:19])[C:7]1[CH:12]=[CH:11][C:10]([NH:13][CH2:14][CH3:15])=[C:9]([N:16]=[C:39]2[N:38]([CH2:31][C:32]3[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=3)[C:42](=[O:43])[C:41](=[C:44]3[N:48]([CH3:49])[C:47]4[CH:50]=[CH:51][CH:52]=[CH:53][C:46]=4[S:45]3)[S:40]2)[CH:8]=1)([CH3:4])([CH3:3])[CH3:2]