HRID1204203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID16452

1-propanone, 2-bromo-1-phenyl-

C9H9BrO

HCID19660

Carbonate

CO3-2

HCID81472

Ethyl 3-imino-2,3-dihydro-1H-pyrazole-4-carboxylate

C6H9N3O2

PRODUCTS

生成物

HCID57632219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7848f2ac1b3c4aa4baadca3796c84ac6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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