HRID113790

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

HCID2773485

2-Methoxy-5-methylphenylboronic acid

C8H11BO3

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1I

HCID59343876

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(C(F)(F)F)ccc1-c1cc(C)ccc1OC

HCID11261706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58377208a1b04d32bb33c6c1d9866c2d
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:45](=[O:46])([O-:47])[O-:48].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:33][O:34][c:35]1[c:36]([B:42]([OH:43])[OH:44])[cH:37][c:38]([CH3:41])[cH:39][cH:40]1.[CH3:61][C:62]([CH3:63])=[O:64].[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]([I:23])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[K+:49].[K+:50].[OH2:60].[Pd+2:55]>>[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:36]3[c:35]([O:34][CH3:33])[cH:40][cH:39][c:38]([CH3:41])[cH:37]3)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]