HRID89544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID18388382

未命名化合物

结构：CN(CC(OS(C)(=O)=O)c1ccccc1)S(=O)(=O)c1ccccc1

HCID21842580

未命名化合物

PRODUCTS

生成物

结构：CN(CC(c1ccccc1)N1CCC2(CC1)CSc1ccccc12)S(=O)(=O)c1ccccc1

HCID21842587

N-Methyl-N-(2-phenyl-2-(spiro(benzo[b]thiophene-3(2H),4'-piperidin)-1'-yl)ethyl)benzenesulfonamide

C27H30N2O2S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37a524d0e86248f886efcc233f1133f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][S:2]([O:3][CH:6]([CH2:7][N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)(=[O:4])=[O:5].[NH:25]1[CH2:26][CH2:27][C:28]2([c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[S:31][CH2:32]2)[CH2:37][CH2:38]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH:6]([CH2:7][N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH3:18])([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[N:25]1[CH2:26][CH2:27][C:28]2([c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[S:31][CH2:32]2)[CH2:37][CH2:38]1