HRID145093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID10263287

未命名化合物

HCID67271047

未命名化合物

PRODUCTS

生成物

结构：CC(=NOC1CCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID86603998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f82f7215d94ea1a01617783564db90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:28]([CH3:29])(=[O:30])[c:31]1[c:32]([NH:38][S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:33][cH:34][c:35]([Cl:37])[cH:36]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][NH2:6].[CH3:24][C:25](=[O:26])[OH:27].[CH3:46][CH2:47][OH:48].[CH:7]1([O:12][N:13]2[C:14](=[O:15])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[C:22]2=[O:23])[CH2:8][CH2:9][CH2:10][CH2:11]1>>[CH:7]1([O:12][N:13]=[C:28]([CH3:29])[c:31]2[c:32]([NH:38][S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:33][cH:34][c:35]([Cl:37])[cH:36]2)[CH2:8][CH2:9][CH2:10][CH2:11]1