HRID182054

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

HCID410615

2-methylmorpholine

C5H11NO

结构：CC(C(=O)O)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

HCID22016980

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C(C)N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CCO1

HCID178430701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ad52c31cc684bd4b10c2bdcb2997e76
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

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