HRID103275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC1=C(C(=O)O)C(c2ccc3ccccc3c2)CC(=O)N1

HCID16099865

未命名化合物

HCID178434299

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(c2ccc3ccccc3c2)CC(=O)N1

HCID178429232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e145df62fe954ae9812ff16ac27250b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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