HRID150008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID14554242

2-Bromo-N-(methylsulfonyl)propanamide

C4H8BrNO3S

结构：Cc1nn(-c2cc(Oc3ccc(O)cc3)c(Cl)cc2F)c(=O)n1C(F)F

HCID19912225

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2cc(Oc3ccc(OC(C)C(=O)NS(C)(=O)=O)cc3)c(Cl)cc2F)c(=O)n1C(F)F

HCID19912237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4948faf9c821421fbcbdadd221468695
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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