HRID167223

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c4cffe88e9845d9905f43353c247658
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[Cl:19])[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[n:32]1.[NH2:33][c:34]1[cH:35][c:36]([CH3:40])[cH:37][cH:38][cH:39]1.[NH2:41][c:42]1[cH:43][c:44]([OH:45])[c:46]([CH3:47])[cH:48][cH:49]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:33][c:34]3[cH:35][c:36]([CH3:40])[cH:37][cH:38][cH:39]3)[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[n:32]1