HRID96041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID4589190

5-Isopropyl-2-methoxyphenylboronic acid

C10H15BO3

HCID59135136

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1OC(=O)NC1C

HCID66716899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de29d361faa7418887188e7e9d7004be
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:33](=[O:34])([O-:35])[O-:36].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:39][C:40](=[O:41])[CH3:42].[CH:19]([CH3:20])([CH3:21])[c:22]1[cH:23][cH:24][c:25]([O:31][CH3:32])[c:26]([B:28]([OH:29])[OH:30])[cH:27]1.[I:1][c:2]1[c:3]([CH:12]2[CH:13]([CH3:18])[NH:14][C:15](=[O:17])[O:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[K+:37].[K+:38].[OH2:43].[Pd+2:48]>>[c:2]1(-[c:26]2[c:25]([O:31][CH3:32])[cH:24][cH:23][c:22]([CH:19]([CH3:20])[CH3:21])[cH:27]2)[c:3]([CH:12]2[CH:13]([CH3:18])[NH:14][C:15](=[O:17])[O:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1