HRID203908

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

HCID23005335

[3-Chloro-4-(methoxycarbonyl)phenyl]boronic acid

C8H8BClO4

结构：CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(OS(=O)(=O)C(F)(F)F)cc3Cl)C(F)(F)F)cc21

HCID86645873

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(-c4ccc(C(=O)OC)c(Cl)c4)cc3Cl)C(F)(F)F)cc21

HCID67545550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84c96d0bacdb45a18728cabf576b1417
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

[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[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][cH:17][c:18]2[c:19]([cH:27]1)[N:20]([CH2:25][CH3:26])[C:21](=[O:24])[CH2:22][O:23]2)[CH3:28].[Cl:37][c:38]1[cH:39][c:40]([B:48]([OH:49])[OH:50])[cH:41][cH:42][c:43]1[C:44](=[O:45])[O:46][CH3:47].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4](-[c:40]2[cH:39][c:38]([Cl:37])[c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:42][cH:41]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][cH:17][c:18]2[c:19]([cH:27]1)[N:20]([CH2:25][CH3:26])[C:21](=[O:24])[CH2:22][O:23]2)[CH3:28]