HRID1548816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID708093

2-Methoxynicotinic acid

C7H7NO3

HCID2050099

4-Methoxypicolinic acid

C7H7NO3

HCID69022393

未命名化合物

PRODUCTS

产物

HCID86636838

(+/-)4-Methoxy-pyridine-2-carboxylic acid (10-ethyl-4-oxo-2-pyrimidin-4-yl-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepin-10-yl)-amide

C22H24N6O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bf2bdb11e3bb4fd289ca355e591ceb86
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

[CH3:22][O:23][c:24]1[cH:25][c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]1.[CH3:33][O:34][c:35]1[n:36][cH:37][cH:38][cH:39][c:40]1[C:41]([OH:42])=[O:43].[NH2:1][C:2]1([CH2:20][CH3:21])[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1>>[NH:1]([C:2]1([CH2:20][CH3:21])[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1)[C:30]([c:26]1[cH:25][c:24]([O:23][CH3:22])[cH:29][cH:28][n:27]1)=[O:31]