HRID697763

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：COc1ccc(F)cc1C(C)(C)CC(O)(CS(=O)c1ccc(C)cc1)C(F)(F)F

HCID69806620

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CSc1ccc(C)cc1)C(F)(F)F

HCID69415809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ecc05ec13fe4b0a98084ca712f8ce72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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