HRID1548470

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69683

Benzamide, p-bromo-

C7H6BrNO

结构：CC(C)(Cc1c[nH]c2c(OS(=O)(=O)C(F)(F)F)cccc12)NC(=O)OC(C)(C)C

HCID86595245

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1c[nH]c2c(-c3ccc(C(N)=O)cc3)cccc12)NC(=O)OC(C)(C)C

HCID69517685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4890178f936249d1bba9e019dc6b28f2
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:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][C:24]([CH2:25][c:26]1[cH:27][nH:28][c:29]2[c:30]([O:35][S:36]([C:37]([F:38])([F:39])[F:40])(=[O:41])=[O:42])[cH:31][cH:32][cH:33][c:34]12)([CH3:43])[CH3:44].[CH3:12][C:13](=[O:14])[O-:15].[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[K+:11].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50]>>[c:2]1(-[c:30]2[c:29]3[nH:28][cH:27][c:26]([CH2:25][C:24]([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])([CH3:43])[CH3:44])[c:34]3[cH:33][cH:32][cH:31]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1