HRID2132816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CN(C)Cc1nc(C(N)=O)nn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl

HCID12831738

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1nc(C#N)nn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl

HCID20332972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a01703ca214a3fa66d494c284f1b3d
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

[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl-:29].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[n:14][c:15]([C:22](=[O:23])[NH2:24])[n:16][c:17]3[CH2:18][N:19]([CH3:20])[CH3:21])[cH:8][cH:9][c:10]([Cl:12])[cH:11]2)[cH:25][cH:26][cH:27][cH:28]1.[OH2:41].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[n:14][c:15]([C:22]#[N:24])[n:16][c:17]3[CH2:18][N:19]([CH3:20])[CH3:21])[cH:8][cH:9][c:10]([Cl:12])[cH:11]2)[cH:25][cH:26][cH:27][cH:28]1