HRID2144453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：COCN(c1cc(Cl)cnc1C(=O)c1c(F)cccc1OC)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID57942244

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(F)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

HCID11540408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f4c29dda8884676829fd596a46a61d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4]([N:19]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]2)[CH2:33][O:34][CH3:35])[c:5]([C:8]([c:9]2[c:10]([F:17])[cH:11][cH:12][cH:13][c:14]2[O:15][CH3:16])=[O:18])[n:6][cH:7]1.[ClH:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:37]>>[Cl:1][c:2]1[cH:3][c:4]([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]2)[c:5]([C:8]([c:9]2[c:10]([F:17])[cH:11][cH:12][cH:13][c:14]2[O:15][CH3:16])=[O:18])[n:6][cH:7]1