HRID202660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID44558098

5-Chloropyridine-2-sulfonyl chloride

C5H3Cl2NO2S

结构：COc1ccc(CN2CCC(F)(F)CC(NC(=O)OC(C)(C)C)C2=O)c(OC)c1

HCID68625021

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCC(F)(F)CC(NS(=O)(=O)c3ccc(Cl)cn3)C2=O)c(OC)c1

HCID178490785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a209940a90154e65b503c99f6b34747b
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

[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[C:9](=[O:28])[N:10]([CH2:17][c:18]2[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH2:11][CH2:12][C:13]([F:15])([F:16])[CH2:14]1)([CH3:5])([CH3:6])[CH3:29].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:46][c:47]1[cH:48][cH:49][c:50]([S:53](=[O:54])(=[O:55])[Cl:56])[n:51][cH:52]1.[Cl:57][CH2:58][Cl:59].[ClH:30].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[NH:7]([CH:8]1[C:9](=[O:28])[N:10]([CH2:17][c:18]2[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH2:11][CH2:12][C:13]([F:15])([F:16])[CH2:14]1)[S:53]([c:50]1[cH:49][cH:48][c:47]([Cl:46])[cH:52][n:51]1)(=[O:54])=[O:55]