HRID1152902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID573203

1-Ethyl-3-methyl-1H-pyrazole-4-carbaldehyde

C7H10N2O

HCID2724942

未命名化合物

HCID14086438

2-Chloro-3-(piperazin-1-yl)pyrazine

C8H11ClN4

PRODUCTS

生成物

HCID86641665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55e71ad905744b04ad46af45bd85a9c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:51](=[O:52])([OH:53])[O-:54].[CH2:16]([CH3:17])[n:18]1[n:19][c:20]([CH3:25])[c:21]([CH:23]=[O:24])[cH:22]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:56][C:57](=[O:58])[OH:59].[Cl:3][c:4]1[c:5]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[n:6][cH:7][cH:8][n:9]1.[Cl:47][CH:48]([Cl:49])[CH3:50].[ClH:1].[ClH:2].[Na+:46].[Na+:55]>>[Cl:3][c:4]1[c:5]([N:10]2[CH2:11][CH2:12][N:13]([CH2:23][c:21]3[c:20]([CH3:25])[n:19][n:18]([CH2:16][CH3:17])[cH:22]3)[CH2:14][CH2:15]2)[n:6][cH:7][cH:8][n:9]1