HRID2125872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1nc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)F)n1

HCID13729470

未命名化合物

PRODUCTS

生成物

结构：COc1nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)F)nc(OCC(F)(F)F)n1

HCID54181389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c456afc8f937430894b968fdfcde1099
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

[C:39](=[O:40])([O-:41])[O-:42].[F:1][CH:2]([O:3][c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[NH:16][c:17]2[n:18][c:19]([O:24][CH3:25])[n:20][c:21]([Cl:23])[n:22]2)[cH:6][cH:7][cH:8][cH:9]1)[F:26].[K+:43].[K+:44].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[OH2:45].[OH:33][CH2:34][C:35]([F:36])([F:37])[F:38]>>[F:1][CH:2]([O:3][c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[NH:16][c:17]2[n:18][c:19]([O:24][CH3:25])[n:20][c:21]([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])[n:22]2)[cH:6][cH:7][cH:8][cH:9]1)[F:26]