HRID124361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

HCID192794

Methyl beta-alanate

C4H9NO2

结构：CC(C)(C)OC(=O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O

HCID59607826

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)C(CC(=O)OC(C)(C)C)Cc1ccc(-c2ccccc2)cc1

HCID68423825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6db3b787ff99466baf4b5fb03580123b
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

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