HRID2317934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID81531

Diisopropylethylamine

C8H19N

HCID6405256

3-Chloro-6-(4-cyanophenyl)pyridazine

C11H6ClN3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)N1CCN(c2ccc(-c3ccc(C#N)cc3)nn2)CC1

HCID11358728

4-[6-(4-isopropylpiperazin-1-yl)pyridazin-3-yl]benzonitrile

C18H21N5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00439a6f29ab433cbcd4863d9002cd81
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

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