HRID1131356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7416

Nitrobenzene

C6H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID24648

Sulfuryl chloride

Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID9948802

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

HCID10228797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c84898014f34beab170cedc5985e42b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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