HRID828536

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

HCID14074416

未命名化合物

结构：CCC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID67269822

未命名化合物

PRODUCTS

生成物

结构：CCC(=NOCC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID86604003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc4ed231c4004feebaac467c71da925b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][NH2:6].[CH3:26][C:27](=[O:28])[OH:29].[CH3:49][CH2:50][OH:51].[CH:7]1([CH2:13][O:14][N:15]2[C:16](=[O:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[C:24]2=[O:25])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Cl:30][c:31]1[cH:32][c:33]([C:45]([CH2:46][CH3:47])=[O:48])[c:34]([NH:37][S:38](=[O:39])(=[O:40])[C:41]([F:42])([F:43])[F:44])[cH:35][cH:36]1>>[CH:7]1([CH2:13][O:14][N:15]=[C:45]([c:33]2[cH:32][c:31]([Cl:30])[cH:36][cH:35][c:34]2[NH:37][S:38](=[O:39])(=[O:40])[C:41]([F:42])([F:43])[F:44])[CH2:46][CH3:47])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1