HRID111555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1119

Sulfur dioxide

O2S

HCID15442601

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(S(N)(=O)=O)c(C(C)C)c(N)c1Br

HCID21491932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f006f233ee547eb8bf0df07c062cd21
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

[Br:14][c:15]1[c:16]([CH:17]([CH3:18])[CH3:19])[cH:20][c:21]([NH2:22])[c:23]([CH:24]([CH3:25])[CH3:26])[cH:27]1.[Br:28][c:29]1[c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([NH2:36])[c:37]([CH:38]([CH3:39])[CH3:40])[c:41]1[N+:42]([O-:43])=[O:44].[Br:49][c:50]1[c:51]([N+:66]([O-:67])=[O:68])[c:52]([CH:63]([CH3:64])[CH3:65])[c:53]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:54][c:55]1[CH:56]([CH3:57])[CH3:58].[CH:1]([c:2]1[cH:3][cH:4][c:5]([CH:6]([CH3:7])[CH3:8])[cH:9][c:10]1[NH2:11])([CH3:12])[CH3:13].[Cl-:45].[O:46]=[S:47]=[O:48]>>[Br:49][c:50]1[c:51]([NH2:66])[c:52]([CH:63]([CH3:64])[CH3:65])[c:53]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:54][c:55]1[CH:56]([CH3:57])[CH3:58]