HRID135170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID137761

2-Fluorobenzenesulphonyl chloride

C6H4ClFO2S

结构：CC(C)CNCc1ccc(-c2cccc(S(C)(=O)=O)c2)s1

HCID67441398

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1F

HCID25234393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6426dc916f3d4527ba010d7499fbb97f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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