HRID2123266

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)c1cccc(C)c1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942236

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1Cl

HCID57942427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-884ca9a8c9004a3a825105bc21be6cb1
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[c:3]([C:32]([F:33])([F:34])[F:35])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][O:13][CH3:14])[c:15]2[c:16]([C:22]([c:23]3[c:24]([Cl:30])[c:25]([CH3:29])[cH:26][cH:27][cH:28]3)=[O:31])[n:17][cH:18][c:19]([Cl:21])[cH:20]2)[cH:6][cH:7]1.[ClH:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:36]>>[Cl:1][c:2]1[c:3]([C:32]([F:33])([F:34])[F:35])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:15]2[c:16]([C:22]([c:23]3[c:24]([Cl:30])[c:25]([CH3:29])[cH:26][cH:27][cH:28]3)=[O:31])[n:17][cH:18][c:19]([Cl:21])[cH:20]2)[cH:6][cH:7]1