HRID683267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCNCC1O

HCID22980187

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2CCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(O)C2)cc1

HCID70130378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e15ada71be48ca99669c5660a7593a
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

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