HRID1241989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID21937369

未命名化合物

结构：CN1C(=S)N(Cc2ccccc2)C(=O)C1=C1Sc2ccccc2N1C

HCID72639886

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(C)=O)cc1N=C1N(C)C(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID67369608

未命名化合物

PROCEDURE

实验过程

In a manner similar to Example 1, intermediate 3-benzyl-1-methyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-2-thioxoimidazolidin-4-one was alkylated with methyl p-toluenesulfonate and condensed with 3′-amino-4′-ethylaminoacetophenone to yield the title compound. 1H-NMR (CDCl3): δ 8.11 (1H, d), 7.84 (1H, dd), 7.51 (1H, dd), 7.31 (1H, m), 7.16 (1H, m), 6.95–7.12 (7H, m), 6.08 (1H, br t), 4.46 (2H, hs m), 3.99 (2H, m), 3.78 (3H, s), 3.50 (3H, s), 2.65 (3H, s), 1.06 (3H, t); MS(ESI): 512 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70c5a9dd72284d088555931ef67f30b4
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

[CH2:1]([N:8]1[C:12](=[O:13])[C:11](=[C:14]2[N:18]([CH3:19])[C:17]3[CH:20]=[CH:21][CH:22]=[CH:23][C:16]=3[S:15]2)[N:10]([CH3:24])[C:9]1=S)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(C)C=CC(S(OC)(=O)=O)=CC=1.[NH2:38][C:39]1[CH:40]=[C:41]([C:48](=[O:50])[CH3:49])[CH:42]=[CH:43][C:44]=1[NH:45][CH2:46][CH3:47]>>[C:48]([C:41]1[CH:42]=[CH:43][C:44]([NH:45][CH2:46][CH3:47])=[C:39]([N:38]=[C:9]2[N:8]([CH2:1][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)[C:12](=[O:13])[C:11](=[C:14]3[N:18]([CH3:19])[C:17]4[CH:20]=[CH:21][CH:22]=[CH:23][C:16]=4[S:15]3)[N:10]2[CH3:24])[CH:40]=1)(=[O:50])[CH3:49]