HRID1575131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：COc1ccc(CN(c2cccc(C(=O)O)c2)c2cc(Cl)nn3c(C#N)cnc23)cc1

HCID59314006

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2cccc(C(=O)NCCN(C)C)c2)c2cc(Cl)nn3c(C#N)cnc23)cc1

HCID59313763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cff5e57f224d4488a94eeddbb59fa4a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:32][N:33]([CH2:34][CH2:35][NH2:36])[CH3:37].[Cl:1][c:2]1[cH:3][c:4]([N:13]([c:14]2[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]2)[CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][c:4]([N:13]([c:14]2[cH:15][c:16]([C:17](=[O:19])[NH:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:37])[cH:20][cH:21][cH:22]2)[CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2