HRID1202348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6395

Methanesulfonic acid

CH4O3S

HCID59764473

未命名化合物

HCID59764488

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1Br

HCID59764523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85cbfbf2e6cf426797cdbc120b478903
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:13])[cH:4][c:5]([O:9][CH:10]([CH3:11])[CH3:12])[c:6]([NH2:8])[cH:7]1.[CH3:35][S:36](=[O:37])(=[O:38])[OH:39].[CH3:40][CH:41]([OH:42])[CH3:43].[Cl:14][c:15]1[n:16][cH:17][c:18]([CH3:34])[c:19]([NH:21][c:22]2[c:23]([S:28](=[O:29])(=[O:30])[CH:31]([CH3:32])[CH3:33])[cH:24][cH:25][cH:26][cH:27]2)[n:20]1>>[Br:1][c:2]1[c:3]([CH3:13])[cH:4][c:5]([O:9][CH:10]([CH3:11])[CH3:12])[c:6]([NH:8][c:15]2[n:16][cH:17][c:18]([CH3:34])[c:19]([NH:21][c:22]3[c:23]([S:28](=[O:29])(=[O:30])[CH:31]([CH3:32])[CH3:33])[cH:24][cH:25][cH:26][cH:27]3)[n:20]2)[cH:7]1