HRID2161058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID9956

2,3-Diaminopyridine

C5H7N3

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID135964

2,3-Dimethoxyphenylacetic acid

C10H12O4

HCID13149868

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(NC(=O)Cc2cccc(OC)c2OC)cc(N)c1C#N

HCID11523273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfb0f941acb046ba98b6d966e4365f29
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

[CH3:1][O:2][c:3]1[c:4]([CH2:11][C:12](=[O:13])[OH:14])[cH:5][cH:6][cH:7][c:8]1[O:9][CH3:10].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:42][CH2:43][Cl:44].[NH2:21][c:22]1[cH:23][c:24]([NH2:33])[n:25][c:26]([O:30][CH2:31][CH3:32])[c:27]1[C:28]#[N:29].[NH2:34][c:35]1[c:36]([NH2:37])[n:38][cH:39][cH:40][cH:41]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:11][C:12](=[O:14])[NH:33][c:24]2[cH:23][c:22]([NH2:21])[c:27]([C:28]#[N:29])[c:26]([O:30][CH2:31][CH3:32])[n:25]2)[cH:5][cH:6][cH:7][c:8]1[O:9][CH3:10]