HRID1233250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID248652

2,2,2-trichloro-n-methylacetamide

C3H4Cl3NO

结构：COc1ccc(Cl)cc1C(=O)NCCC1CCN(S(N)(=O)=O)CC1

HCID12282030

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)NS(=O)(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2OC)CC1

HCID59660707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51ec016d4dd44fc29dd321d64df6a890
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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