HRID188414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1176

Urea

CH4N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID170380

Benzonitrile, 4-isocyanato-

C8H4N2O

HCID59190859

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)c1

HCID59190886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e6156eb1f0e43e5839f8c48bbd03e9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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