HRID2159073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7239

1,2-Dichlorobenzene

C6H4Cl2

HCID62678

Phosphorane, pentabromo-

Br5P

结构：CS(=O)(=O)c1ccc(-c2cc(=O)[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1

HCID23355258

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-c2cc(Br)nc(C(F)(F)F)c2-c2ccc(F)cc2)cc1

HCID10277096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bda2fe09f59f4273b95a69757888706e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:36].[CH2:45]([Cl:46])[Cl:47].[Cl:37][c:38]1[c:39]([Cl:40])[cH:41][cH:42][cH:43][cH:44]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]3)[cH:10][c:11](=[O:18])[nH:12][c:13]2[C:14]([F:15])([F:16])[F:17])[cH:6][cH:7]1.[K+:35].[OH2:48].[P:29]([Br:30])([Br:31])([Br:32])([Br:33])[Br:34]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]3)[cH:10][c:11]([Br:30])[n:12][c:13]2[C:14]([F:15])([F:16])[F:17])[cH:6][cH:7]1