HRID113761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID27099

Copper(2+)

Cu+2

HCID23005335

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

C8H8BClO4

结构：CC(c1cc(O)ccc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697195

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c2)cc1Cl

HCID66697188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ccbe338f594d68a81a698d6eb6858d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Cl:29][c:30]1[cH:31][c:32]([B:40]([OH:41])[OH:42])[cH:33][cH:34][c:35]1[C:36](=[O:37])[O:38][CH3:39].[Cu+2:47].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([O:8][c:32]2[cH:31][c:30]([Cl:29])[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:33]2)[cH:6][cH:7]1