HRID662788

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

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(I)ccc1-c1cc(C(C)C)ccc1OC

HCID11527580

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(-c2cccnc2)ccc1-c1cc(C(C)C)ccc1OC

HCID11527369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b96f05540a524068a3a8b186802741f0
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

[C:40](=[O:41])([O-:42])[O-:43].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:65][C:66]([CH3:67])=[O:68].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:15][cH:16][c:17]([I:19])[cH:18]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[K+:44].[K+:45].[OH2:64].[Pd+2:59].[n:46]1[cH:47][c:48]([B:52]([OH:53])[OH:54])[cH:49][cH:50][cH:51]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:15][cH:16][c:17](-[c:48]3[cH:47][n:46][cH:51][cH:50][cH:49]3)[cH:18]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]