HRID1543823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)NCc2ccc(OC(F)(F)F)cc2)C1

HCID72362709

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(OC(F)(F)F)cc1)C1CNCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

HCID72362738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fabe86f8fe074e9b8386207b54aa921d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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