HRID1548510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID60993

N,N-Diethylethylenediamine

C6H16N2

HCID498716

未命名化合物

HCID21973328

未命名化合物

PRODUCTS

产物

HCID18768107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee467a97e4b2478ca309a37a579ca2fc
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

[C:30]([OH:31])(=[O:32])[CH3:33].[C:46]([BH3-:47])#[N:48].[C:50](=[O:51])([OH:52])[O-:53].[CH2:38]([CH3:39])[N:40]([CH2:41][CH3:42])[CH2:43][CH2:44][NH2:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([CH3:29])[CH2:16][N:17]([CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([CH3:20])[CH2:19]2)[c:6]([CH:7]=[O:8])[cH:9]1.[Cl:34][CH:35]([Cl:36])[CH3:37].[Na+:49].[Na+:54].[OH2:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([CH3:29])[CH2:16][N:17]([CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([CH3:20])[CH2:19]2)[c:6]([CH2:7][NH:45][CH2:44][CH2:43][N:40]([CH2:38][CH3:39])[CH2:41][CH3:42])[cH:9]1