查数据/反应详情

HRID2325603

反应详情

EQUATION

反应方程式

HRID 2325603 的结构方程式

REACTANTS

反应物

2

结构：O=S(=O)(Cl)c1ccc(Cl)cc1

Benzenesulfonyl chloride, 4-chloro-

C6H4Cl2O2S

结构：COC(=O)C(N)C(CC(F)(F)F)CC(F)(F)F

未命名化合物

PRODUCTS

生成物

1

结构：COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(CC(F)(F)F)CC(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-383535670e9e4381af57f98429282f0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH2:6][C:7]([F:8])([F:9])[F:10])[CH2:11][C:12]([F:13])([F:14])[F:15])[NH2:16])=[O:17].[Cl:18][c:19]1[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[Cl:28])[cH:23][cH:24]1>>[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH2:6][C:7]([F:8])([F:9])[F:10])[CH2:11][C:12]([F:13])([F:14])[F:15])[NH:16][S:25]([c:22]1[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]1)(=[O:26])=[O:27])=[O:17]

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