HRID1141642

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

HCID2724942

未命名化合物

HCID2776437

5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbaldehyde

C11H10N2O

HCID14086438

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

C8H11ClN4

PRODUCTS

生成物

结构：Cc1c(CN2CCN(c3nccnc3Cl)CC2)cnn1-c1ccccc1

HCID86641663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83978ccdb9194aa4a4e712b82552d612
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:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:16][c:17]1[c:18]([CH:28]=[O:29])[cH:19][n:20][n:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:55][C:56](=[O:57])[OH:58].[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:51][CH2:52][CH2:53][Cl:54].[ClH:1].[ClH:2].[Na+:50]>>[Cl:3][c:4]1[c:5]([N:10]2[CH2:11][CH2:12][N:13]([CH2:28][c:18]3[c:17]([CH3:16])[n:21](-[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[n:20][cH:19]3)[CH2:14][CH2:15]2)[n:6][cH:7][cH:8][n:9]1