HRID136633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID28378703

未命名化合物

结构：CCOc1ccc(C(C)(C)C#N)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID178466286

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C(C)(C)C#N)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N(C)C(C)C)CC1

HCID178466290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad6cfb38e02c47d89b8c9892e4888b7d
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:37]([CH3:38])([CH3:39])[N:40]([C:41]([CH2:42][N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1)=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:34][CH2:35][CH3:36])[cH:25][cH:26][c:27]([C:29]([CH3:30])([CH3:31])[C:32]#[N:33])[cH:28]3)[N:11]([C:20](=[O:21])[Cl:22])[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:34][CH2:35][CH3:36])[cH:25][cH:26][c:27]([C:29]([CH3:30])([CH3:31])[C:32]#[N:33])[cH:28]3)[N:11]([C:20](=[O:21])[N:46]3[CH2:45][CH2:44][N:43]([CH2:42][C:41]([N:40]([CH:37]([CH3:38])[CH3:39])[CH3:50])=[O:49])[CH2:48][CH2:47]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1