HRID1569555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

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(F)ccc1Br

HCID86615391

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(F)ccc1-c1cc(C)ccc1OC

HCID11663709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fd674b8c5384668834e33a320c12c7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:36][O:37][c:38]1[c:39]([B:45]([OH:46])[OH:47])[cH:40][c:41]([CH3:44])[cH:42][cH:43]1.[CH3:49][C:50]([CH3:51])=[O:52].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][C:69]([CH3:70])=[O:71].[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]([Br:20])[cH:15][cH:16][c:17]([F:19])[cH:18]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[K+:34].[K+:35].[OH2:48].[Pd+2:57]>>[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:39]3[c:38]([O:37][CH3:36])[cH:43][cH:42][c:41]([CH3:44])[cH:40]3)[cH:15][cH:16][c:17]([F:19])[cH:18]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]