HRID695700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID219740

5-amino-1-methyl-1H-pyrazole-4-carbonitrile

C5H6N4

HCID589711

未命名化合物

HCID5360545

Sodium

HCID18357000

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(OC)ccc(C(=O)Nc3c(C#N)cnn3C)c2s1

HCID9902566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5827cc683181438e8435a4aa6e9d6630
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

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