HRID304426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2468184

N-(tert-butyl)-2-piperazin-1-ylacetamide

C10H21N3O

结构：CCOc1cc(C(C)(C)C#N)c(Cl)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID87753332

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C#N)c(Cl)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1

HCID178466519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8cc6a9c858c4c549e789628e6e6a956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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