HRID662505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID13433424

5-Bromo-2-(methanesulfonyl)pyridine

C6H6BrNO2S

结构：CC(COC(F)F)Oc1cc(O)cc(C(=O)Nc2ccn(C)n2)c1

HCID72524157

未命名化合物

PRODUCTS

生成物

结构：CC(COC(F)F)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(C(=O)Nc2ccn(C)n2)c1

HCID178459225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0b0d076c5a846d08181d5f95665dcb6
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

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