HRID695476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID7918

Acetic anhydride

C4H6O3

HCID66619232

未命名化合物

PRODUCTS

产物

HCID66619270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dd22547d3d2e4978b8dcfe68e107a428
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:37]([O:38][C:40](=[O:41])[CH3:42])(=[O:39])[CH3:43].[CH2:1]([NH:2][C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:17]1[c:18](-[c:28]2[c:29]([CH3:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[n:19][c:20]2[c:21]1[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]2)=[O:36])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:44][C:45](=[O:46])[OH:47].[N:48]([O-:49])=[O:50].[Na+:51]>>[C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:17]1[c:18](-[c:28]2[c:29]([CH3:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[n:19][c:20]2[c:21]1[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]2)(=[O:36])[OH:39]