HRID2333325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

结构：CC(c1ccc(OS(=O)(=O)C(F)(F)F)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86629107

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

HCID46939952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3faa8b45c414f1085b1f0a640faf885
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

[CH3:31][O:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[cH:3][c:4]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4](-[c:38]2[cH:37][cH:36][c:35]([C:33]([O:32][CH3:31])=[O:34])[cH:40][cH:39]2)[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22]