HRID191362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12181

Methyl crotonate

C5H8O2

HCID4574913

未命名化合物

结构：O=S(=O)(Cc1c(F)ccc(F)c1F)c1ccc(Cl)cc1

HCID58950334

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(C)C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1

HCID58950114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf00462238040948e6983fbf1e69544
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

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