HRID2155222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：O=[N+]([O-])c1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC1CCC(O)CC1

HCID57885542

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID57885684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-986cd29be2de43c9a483b0c63034f89a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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