HRID117532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID67055896

未命名化合物

结构：Clc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1

HCID86670613

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)s1

HCID67055891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e297538800d4b618e98043d1deaf2cc
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:1][c:2]1[cH:3][n:4][c:5]([S:7](=[O:8])(=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14])[s:6]1.[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[Cl-:16].[Cl:17][c:18]1[n:19][c:20]2[cH:21][cH:22][cH:23][c:24](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:25]2[c:26]([NH:28][CH2:29][c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[n:27]1.[Li+:15]>>[c:2]1(-[c:18]2[n:19][c:20]3[cH:21][cH:22][cH:23][c:24](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:25]3[c:26]([NH:28][CH2:29][c:30]3[n:31][cH:32][cH:33][cH:34][cH:35]3)[n:27]2)[cH:3][n:4][c:5]([S:7](=[O:8])(=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14])[s:6]1