HRID318435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc(-c2ccc(OCC3CCNCC3)cc2)c(F)c1

HCID66673429

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3F)cc2)CC1

HCID24994029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3ccd9be5bf84275a9861f0025985cf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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