HRID157934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID41331

4-Ethoxy-4-oxobut-2-enoic acid

C6H8O4

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：NC(CC(=O)OCc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)cc1

HCID72337067

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=CC(=O)NC(CC(=O)OCc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)cc1

HCID72337112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ae493da81d4c5781bb447fb027d1a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:29]([CH3:30])[O:31][C:32]([CH:33]=[CH:34][C:35](=[O:36])[OH:37])=[O:38].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:1].[NH2:2][CH:3]([CH2:4][C:5](=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]2)[cH:20][cH:21]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[NH:2]([CH:3]([CH2:4][C:5](=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]2)[cH:20][cH:21]1)[C:35]([CH:34]=[CH:33][C:32]([O:31][CH2:29][CH3:30])=[O:38])=[O:36]