HRID1551560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

HCID1645

3-Aminobenzamide

C7H8N2O

结构：COc1ccc(C(Nc2cccc(C(N)=O)c2)C(=O)O)cc1OC

HCID59838034

未命名化合物

HCID59838044

{3-Ethoxy-4-[(propan-2-yl)oxy]phenyl}boronic acid

C11H17BO4

PRODUCTS

生成物

结构：CCOc1cc(C(Nc2cccc(C(N)=O)c2)C(=O)O)ccc1OC(C)C

HCID59479447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f95514b46e8c45b487c854cd94362d83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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