HRID679973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID166921

2-Buten-1-amine, 3-methyl-

C5H11N

HCID327544

2-(2-Nitroimidazol-1-yl)acetic acid

C5H5N3O4

HCID5250894

未命名化合物

PRODUCTS

生成物

HCID18929154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-838f89f495154ac4a07c6cf5b7287af7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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