HRID2136743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID2734882

4-Isopropylbenzenesulfonyl chloride

C9H11ClO2S

反应SMILES：C=CCN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C

HCID67132821

未命名化合物

PRODUCTS

产物

反应SMILES：C=CCN(CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1)C(=O)OC(C)(C)C

HCID67421220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a5048d81a14b423d806a6e689326a440
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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