HRID1117944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

反应SMILES：CC(C)(C)OC(=O)N1CC(CCl)c2c1cc([N+](=O)[O-])c1ccccc21

HCID15380413

未命名化合物

HCID53439532

3-(3-Acetamidophenyl)prop-2-enoic acid

C11H11NO3

PRODUCTS

产物

反应SMILES：CC(=O)Nc1cccc(C=CC(=O)N2CC(CCl)c3c2cc([N+](=O)[O-])c2ccccc32)c1

HCID54498156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-942282c301d24af7aaa302011729b8a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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