HRID1242021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CSc1sc2ccccc2[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1

HCID41464

Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

C16H17NO3S3

结构：CCNc1ccc(C(C)=O)cc1N=C1SCC(=O)N1Cc1ccc(C(=O)OC)cc1

HCID21937537

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(C)=O)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccc(C(=O)OC)cc1

HCID73855010

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from intermediate 4-[2-(5-acetyl-2-ethylaminophenylimino)-4-oxothiazolidin-3-ylmethyl]benzoic acid methyl ester and 3-methyl-2-(methylthio)benzothiazol-3-ium p-toluenesulfonate in a manner similar to Example 45. 1H-NMR (CDCl3): δ 8.03 (2H, d), 7.64–7.70 (2H, m), 7.49–7.55 (3H, m), 7.36 (1H, m), 7.20 (1H, m), 7.08 (1H, d), 6.51 (1H, d), 5.24 (2H, s), 4.15 (1H, br t), 3.91 (3H, s), 3.80 (3H, s), 3.04 (2H, m), 2.51 (3H, s), 1.01 (3H, s); MS(ESI): 573 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a91efd53eb0b41df8a9f959f5ec3ce3a
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

[CH3:1][O:2][C:3](=[O:30])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[C:15](=[O:16])[CH2:14][S:13][C:12]2=[N:17][C:18]2[CH:23]=[C:22]([C:24](=[O:26])[CH3:25])[CH:21]=[CH:20][C:19]=2[NH:27][CH2:28][CH3:29])=[CH:6][CH:5]=1.C1(C)C=CC(S([O-])(=O)=O)=CC=1.[CH3:42][N+:43]1[C:47]2[CH:48]=[CH:49][CH:50]=[CH:51][C:46]=2[S:45][C:44]=1SC>>[C:24]([C:22]1[CH:21]=[CH:20][C:19]([NH:27][CH2:28][CH3:29])=[C:18]([N:17]=[C:12]2[N:11]([CH2:10][C:7]3[CH:8]=[CH:9][C:4]([C:3]([O:2][CH3:1])=[O:30])=[CH:5][CH:6]=3)[C:15](=[O:16])[C:14](=[C:44]3[N:43]([CH3:42])[C:47]4[CH:48]=[CH:49][CH:50]=[CH:51][C:46]=4[S:45]3)[S:13]2)[CH:23]=1)(=[O:26])[CH3:25]