HRID667797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID69550

Acefylline

C9H10N4O4

HCID138880

Aniline, p-isopropyl-N-methyl-

C10H15N

PRODUCTS

生成物

结构：CC(C)c1ccc(N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1

HCID59205108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8494838b16834461a75ed55f860cb7f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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