HRID159896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID7914

Isopropyl ether

C6H14O

HCID23925

Iron

结构：CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3[N+](=O)[O-])c2c1

HCID22567362

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3N)c2c1

HCID22567188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2be52c15dc194a7a87b25f2bba9a80cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:33][CH2:34][OH:35].[CH:37]([O:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:36].[Fe:44].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16]([NH:19][S:20](=[O:21])(=[O:22])[c:23]4[c:24]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:25][cH:26][cH:27][cH:28]4)[cH:17][c:18]23)[cH:6][cH:7][cH:8][cH:9]1.[OH2:45]>>[NH2:1][c:4]1[c:5](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16]([NH:19][S:20](=[O:21])(=[O:22])[c:23]4[c:24]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:25][cH:26][cH:27][cH:28]4)[cH:17][c:18]23)[cH:6][cH:7][cH:8][cH:9]1