HRID677749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID117326

1-Propanol, 3-amino-2,2-dimethyl-

C5H13NO

结构：O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1

HCID2735713

5-[(4-Chlorobenzamido)methyl]thiophene-2-sulfonyl chloride

C12H9Cl2NO3S2

PRODUCTS

生成物

结构：CC(C)(CO)CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1

HCID68685438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-254ed1265f8a4636841fa935c961203a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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