HRID170825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

HCID95102

1,1-Dimethylethanolamine

C4H11NO

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(NCC(C)(C)O)cc3)cc2s1

HCID57980808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0fb7d001218422b9502da7be623ac99
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: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.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[ClH:33].[NH2:27][CH2:28][C:29]([CH3:30])([OH:31])[CH3:32].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]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:27][CH2:28][C:29]([CH3:30])([OH:31])[CH3:32])[cH:24][cH:25]1)[cH:15]2.[ClH:33]