HRID1139106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID23925

Iron

结构：CS(=O)(=O)C(=C1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1

HCID22565379

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)C(=C1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(N)c1

HCID22565376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29b9688697e04206abb0dcf64635b0c1
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

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