HRID1216701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID3307

Etizolam

C17H15ClN4S

HCID7766

Diethyl Carbonate

C5H10O3

HCID87140

O-(2,4-Dinitrophenyl)hydroxylamine

C6H5N3O5

HCID166653

Hydride

H-

HCID178418361

未命名化合物

PRODUCTS

产物

HCID15662236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-934370b8e1574435a7d3839359c42ec3
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

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