HRID86833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID60993

2-Aminoethyldiethylamine

C6H16N2

结构：O=S(=O)(Nc1cccc(-c2nc(C3CCOCC3)sc2-c2ccnc(Cl)n2)c1F)c1ccoc1

HCID86636597

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNc1nccc(-c2sc(C3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3ccoc3)c2F)n1

HCID57990000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1bcbddba8c342d0af85e24608234692
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

[CH2:35]([CH3:36])[N:37]([CH2:38][CH2:39][NH2:40])[CH2:41][CH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:34])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[cH:30][o:31][cH:32][cH:33]4)[cH:22][cH:23][cH:24]3)[n:10][c:11]([CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1>>[c:2]1([NH:40][CH2:39][CH2:38][N:37]([CH2:35][CH3:36])[CH2:41][CH3:42])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:34])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[cH:30][o:31][cH:32][cH:33]4)[cH:22][cH:23][cH:24]3)[n:10][c:11]([CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1