HRID111996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID77014

1-Bromo-4-(methylsulphonyl)benzene

C7H7BrO2S

结构：CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1

HCID59525619

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cc3)s2)c(F)c1

HCID44610063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19206ff3a0304f168bf03ab78e5ad8aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]1.[CH3:39][CH2:40][OH:41].[K+:33].[K+:34].[NH2:1][c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9].[O-:35][C:36]([O-:37])=[O:38]>>[NH:1]([c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9])[c:29]1[cH:28][cH:27][c:26]([S:23]([CH3:22])(=[O:24])=[O:25])[cH:31][cH:30]1