HRID89895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID21455072

1-Propanol, 3-(dimethylamino)-, 1-(4-methylbenzenesulfonate)

C12H19NO3S

结构：CCS(=O)(=O)c1cccc(-c2ccc(O)c3[nH]c4ncc(C)cc4c23)c1

HCID58880081

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1cccc(-c2ccc(OCCCN(C)C)c3[nH]c4ncc(C)cc4c23)c1

HCID58880181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-774f0573f6f8478bbdd9ea10bd2568cb
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

[C:44](=[O:45])([O-:46])[O-:47].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8](-[c:12]2[c:13]3[c:14]4[c:15]([nH:16][c:17]3[c:18]([OH:21])[cH:19][cH:20]2)[n:22][cH:23][c:24]([CH3:26])[cH:25]4)[cH:9][cH:10][cH:11]1.[CH3:27][N:28]([CH2:29][CH2:30][CH2:31][O:32][S:33]([c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)(=[O:41])=[O:42])[CH3:43].[K+:48].[K+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8](-[c:12]2[c:13]3[c:14]4[c:15]([nH:16][c:17]3[c:18]([O:21][CH2:31][CH2:30][CH2:29][N:28]([CH3:27])[CH3:43])[cH:19][cH:20]2)[n:22][cH:23][c:24]([CH3:26])[cH:25]4)[cH:9][cH:10][cH:11]1