HRID204111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID30165

Iodide ion

I-

结构：Cc1ccc(S(=O)CC(O)(CC(C)(C)c2cc(Cl)cc3c2OCC3)C(F)(F)F)cc1

HCID178427287

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(SCC(O)(CC(C)(C)c2cc(Cl)cc3c2OCC3)C(F)(F)F)cc1

HCID69419563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2875b458463d4b92b1e3dec389a8317c
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

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