HRID177519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8459

N,N-Bis(1-methylethyl)-1,2-ethanediamine

C8H20N2

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

结构：CCCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

HCID57980796

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCN(C(C)C)C(C)C)cc3)cc2s1

HCID57980815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8312be539b747d29b872f25bb251678
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[NH:6][c:7]1[s:8][c:9]2[c:10]([n:11]1)[cH:12][cH:13][c:14]([O:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]1)[cH:15]2.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[CH:27]([CH3:28])([CH3:29])[N:30]([CH2:31][CH2:32][NH2:33])[CH:34]([CH3:35])[CH3:36].[ClH:43].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[NH:6][c:7]1[s:8][c:9]2[c:10]([n:11]1)[cH:12][cH:13][c:14]([O:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH:33][CH2:32][CH2:31][N:30]([CH:27]([CH3:28])[CH3:29])[CH:34]([CH3:35])[CH3:36])[cH:24][cH:25]1)[cH:15]2.[ClH:43]