HRID155516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57809287

N,N-Bis(2-methoxyethyl)-1-piperazineacetamide

C12H25N3O3

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)N(CCOC)CCOC)CC1

HCID73020367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ef8bccdcb9f490b92ba05b20a987c1e
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

[CH3:38][O:39][CH2:40][CH2:41][N:42]([C:43]([CH2:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1)=[O:51])[CH2:52][CH2:53][O:54][CH3:55].[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]([N:42]([CH2:41][CH2:40][O:39][CH3:38])[CH2:52][CH2:53][O:54][CH3:55])=[O:51])[CH2:50][CH2:49]2)[cH:7]1