HRID184596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID14634315

1,4-Dioxaspiro[4.5]decan-8-amine

C8H15NO2

HCID16782487

4-Fluoro-3-nitrobenzene-1-sulfonamide

C6H5FN2O4S

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(NC2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1

HCID67126985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45bf613807bc40279a4912b27ec465c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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