HRID193569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID11057211

未命名化合物

HCID11482337

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3ccc4cnccc43)c3ccccc23)cc1

HCID10164692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-933217d77361459586ccc5aef6e41076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:47][OH:48].[CH3:49][S:50]([CH3:51])=[O:52].[Cl:53][CH2:54][Cl:55].[NH2:27][c:28]1[cH:29][cH:30][c:31](-[n:38]2[cH:39][cH:40][c:41]3[cH:42][n:43][cH:44][cH:45][c:46]23)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[c:1]1([O:2][C:8]([NH:9][c:10]2[n:11](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[n:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)=[O:26])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[n:11](-[c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[n:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]1)(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31](-[n:38]2[cH:39][cH:40][c:41]3[cH:42][n:43][cH:44][cH:45][c:46]23)[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12