HRID2345049

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

HCID785232

N-(2-Aminophenyl)-4-methoxybenzamide

C14H14N2O2

HCID937838

5-Chlorobenzofuran-2-carboxylic acid

C9H5ClO3

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccccc2NC(=O)c2cc3cc(Cl)ccc3o2)cc1

HCID21352766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a27c547cd2ba477eb3dc316828763014
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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