HRID1130500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1060

Pyruvic acid

C3H4O3

HCID78498

N-Methyl-o-phenylenediamine

C7H10N2

结构：Cn1c(=O)c(COc2ccccc2C(=O)Nc2ccccc2)nc2ccccc21

HCID9821494

未命名化合物

HCID22642571

未命名化合物

PRODUCTS

生成物

HCID351422

1,3-dimethylquinoxalin-2(1H)-one

C10H10N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad7f239eff9e4cc6baf2c25773c25bc6
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

[CH3:20][n:21]1[c:22](=[O:48])[c:23]([CH2:31][O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[C:39]([NH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:47])[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12.[CH3:49][NH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[NH2:57].[CH3:58][C:59]([C:60](=[O:61])[OH:62])=[O:63].[CH3:64][CH2:65][OH:66].[O:1]([CH2:2][c:3]1[c:4](=[O:5])[nH:6][c:7]2[c:8]([n:9]1)[cH:10][cH:11][cH:12][cH:13]2)[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][n:21]1[c:22](=[O:48])[c:23]([CH3:31])[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]12