HRID2345231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID573204

1-Ethyl-5-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

HCID86641664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cdfa65727294f0e9c937b2ebc11dce9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]([CH:9]=[O:10])[c:7]1[CH3:8].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:51][C:52](=[O:53])[OH:54].[Cl:13][c:14]1[c:15]([N:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[n:16][cH:17][cH:18][n:19]1.[Cl:47][CH2:48][CH2:49][Cl:50].[ClH:11].[ClH:12].[Na+:46]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]([CH2:9][N:23]2[CH2:22][CH2:21][N:20]([c:15]3[c:14]([Cl:13])[n:19][cH:18][cH:17][n:16]3)[CH2:25][CH2:24]2)[c:7]1[CH3:8]