HRID1559989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5344

Sulfisoxazole

C11H13N3O3S

结构：O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1

HCID6264

1-Fluoro-2,4-dinitrobenzene

C6H3FN2O4

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

PRODUCTS

生成物

结构：Cc1noc(NS(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C

HCID23372882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8a54a4981684d9eacd34e95605acb42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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