HRID1573167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)cc[nH]c2=O)c1

HCID58460048

未命名化合物

HCID59511722

2-Bromo-N-(2-chloro-4-sulfamoylphenyl)acetamide

C8H8BrClN2O3S

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2=O)c1

HCID42644876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49d34ee99aa1485f84ee685170880589
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

[C:22](=[O:23])([O-:24])[O-:25].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:21])[nH:13][cH:14][cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:9]1.[K+:26].[K+:27].[NH2:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][c:34]([Cl:43])[c:35]([NH:38][C:39]([CH2:40][Br:41])=[O:42])[cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:21])[n:13]([CH2:40][C:39]([NH:38][c:35]3[c:34]([Cl:43])[cH:33][c:32]([S:29]([NH2:28])(=[O:30])=[O:31])[cH:37][cH:36]3)=[O:42])[cH:14][cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:9]1