HRID605173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7934

3-Methylaniline

C7H9N

HCID17818

5-Amino-2-methylphenol

C7H9NO

结构：COc1ccc(Sc2ccc(C(=O)Cl)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID86615550

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Sc2ccc(C(=O)Nc3cccc(C)c3)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID67040349

未命名化合物

PROCEDURE

实验过程

The product from Example 137B was reacted with m-toluidine according to the procedure from Example 137C substituting m-toluidine for 5-amino-o-cresol to provide the title compound as an off white solid after silica gel chromatography (56 mg, 70%). 1H NMR (300 MHz, DMSO-D6) δ ppm: 1.34 (d, J=6.99 Hz, 6H), 2.21 (s, 3H), 3.15-3.29 (m, 1H), 3.78 (s, 3H), 7.00 (d, J=8.82 Hz, 2H), 7.12-7.37 (m, 4H), 7.40 (d, J=8.82 Hz, 2H), 7.64 (d, J=8.46 Hz, 1H), 7.84 (d, J=11.40 Hz, 1H), 7.99 (s, 1H), 8.59 (s, 1H), 8.86 (d, J=8.46 Hz, 1H), 9.87 (s, 1H), 10.21 (s, 1H); MS (APCI) m/z 536 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-654d6b4f6fa04d55a1b06bc5218e5d23
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07910595B2
来源说明: uspto-grants-2011_03

反应 SMILES

[CH:1]([C:4]1[CH:5]=[CH:6][C:7]2[C:12]([NH:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][C:22]=3[S:23][C:24]3[CH:29]=[CH:28][C:27]([O:30][CH3:31])=[CH:26][CH:25]=3)[C:17](Cl)=[O:18])=[N:11][CH:10]=[N:9][C:8]=2[N:32]=1)([CH3:3])[CH3:2].[NH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([CH3:40])[CH:35]=1.NC1C=C(O)C(C)=CC=1>>[CH:1]([C:4]1[CH:5]=[CH:6][C:7]2[C:12]([NH:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][C:22]=3[S:23][C:24]3[CH:29]=[CH:28][C:27]([O:30][CH3:31])=[CH:26][CH:25]=3)[C:17]([NH:33][C:34]3[CH:35]=[C:36]([CH3:40])[CH:37]=[CH:38][CH:39]=3)=[O:18])=[N:11][CH:10]=[N:9][C:8]=2[N:32]=1)([CH3:3])[CH3:2]