HRID92484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID7416

Nitrobenzene

C6H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID61778

Bisulfate anion

HO4S-

结构：COCC(N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)OC

HCID69587769

未命名化合物

PRODUCTS

生成物

结构：COCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(Cc1ccc2ccccc2c1)C(=O)OC

HCID69588003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6be025150104fb9a7973b31415d3533
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

[CH2:39]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[NH:16][C:17]([CH:18]([CH2:19][O:20][CH3:21])[NH2:22])=[O:23])=[O:24].[K+:51].[N+:30](=[O:31])([O-:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[OH2:57].[S:25](=[O:26])(=[O:27])([Cl:28])[Cl:29].[S:46](=[O:47])(=[O:48])([OH:49])[O-:50]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[NH:16][C:17]([CH:18]([CH2:19][O:20][CH3:21])[NH:22][S:25](=[O:26])(=[O:27])[c:34]1[c:33]([N+:30](=[O:31])[O-:32])[cH:38][cH:37][cH:36][cH:35]1)=[O:23])=[O:24]