HRID2316978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID22989264

未命名化合物

HCID23000328

6-Chloro-2-methyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

C6H5ClN4O

PRODUCTS

生成物

结构：Cn1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2c1=O

HCID23000299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16923231b6064a8d9deb160124ae7eba
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

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