HRID2312991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CC(C)(Oc1ccc(CCC(O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)C(=O)O

HCID25062866

未命名化合物

PRODUCTS

生成物

结构：COC(CCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

HCID25060769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aafc0839e3f74bdabd61e9253afb82fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([O:4][C:5]([C:6](=[O:7])[OH:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH:18]([c:19]2[s:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[OH:34])[c:14]1[Cl:15].[H-:35].[I:37][CH3:38].[Na+:36]>>[Cl:1][c:2]1[c:3]([O:4][C:5]([C:6](=[O:7])[OH:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH:18]([c:19]2[s:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[O:34][CH3:38])[c:14]1[Cl:15]