HRID1114154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：Cc1cc(N)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

HCID195716

ICI 222155

C9H12N2O4S

PRODUCTS

产物

反应SMILES：COc1ccc(S(=O)(=O)Nc2cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c2)cc1

HCID18676554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eca176b5957946d3a19a23f04ded98bc
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

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