HRID2147521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID16702

3-Aminobenzonitrile

C7H6N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1

HCID11220119

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4cccc(C#N)c4)cc3)c2)o1

HCID10200651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63f8689691bf4623a1015124545306ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:34](#[N:35])[c:36]1[cH:37][c:38]([NH2:39])[cH:40][cH:41][cH:42]1.[CH3:1][c:2]1[c:3](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1.[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[Cl:43][CH2:44][Cl:45].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33]>>[CH3:1][c:2]1[c:3](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:22])[NH:39][c:38]3[cH:37][c:36]([C:34]#[N:35])[cH:42][cH:41][cH:40]3)[cH:18][cH:19]2)[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1