HRID1562334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID77079

Butyrohydrazide

C4H10N2O

结构：Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

HCID1519421

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

C17H11Cl3N2O2

PRODUCTS

生成物

结构：CCCC(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C

HCID25149525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1451fca2bf9420eb08ea5f63a5cad63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:25]([CH2:26][CH2:27][CH3:28])(=[O:29])[NH:30][NH2:31].[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH3:24])[c:10]([C:21](=[O:22])[OH:23])[n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[Cl:44][CH2:45][Cl:46].[ClH:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH3:24])[c:10]([C:21](=[O:23])[NH:31][NH:30][C:25]([CH2:26][CH2:27][CH3:28])=[O:29])[n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1