HRID1553853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID12563084

5-Bromo-2,3-dimethoxypyridine

C7H8BrNO2

结构：CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)ccc2n1

HCID44125613

未命名化合物

HCID59519510

N-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

C8H7ClN4O

PRODUCTS

生成物

结构：COc1cc(-c2ccc3nc(NC(C)=O)cn3n2)cnc1OC

HCID44125612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb54a271d68447f4bf9d55f293f4fbeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:49][c:50]1[cH:51][c:52]([O:58][CH3:59])[c:53]([O:56][CH3:57])[n:54][cH:55]1.[CH3:40][S:41]([CH3:42])=[O:43].[CH3:45][C:46](=[O:47])[O-:48].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11][c:12]([NH:13][C:14](=[O:15])[CH3:16])[n:17]3)[n:18]2)[cH:19][c:20]1[NH:21][S:22]([CH3:23])(=[O:24])=[O:25].[Cl:26][c:27]1[cH:28][cH:29][c:30]2[n:31]([n:32]1)[cH:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]2.[K+:44].[Na+:60].[Na+:61].[O-:62][C:63](=[O:64])[O-:65]>>[c:27]1(-[c:50]2[cH:51][c:52]([O:58][CH3:59])[c:53]([O:56][CH3:57])[n:54][cH:55]2)[cH:28][cH:29][c:30]2[n:31]([n:32]1)[cH:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]2