HRID2153467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

HCID15869783

7-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one

C10H9BrO

PRODUCTS

生成物

结构：CC1Cc2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C1=O

HCID22173187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e35032d3722d4e9e839caa0d881fc760
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:55]([CH2:56][O:57][CH3:58])[O:59][CH3:60].[F:13][C:14]([c:15]1[cH:16][c:17]([B:25]([OH:26])[OH:27])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1)([F:28])[F:29].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:70].[Pd+2:65].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[c:2]1(-[c:17]2[cH:16][c:15]([C:14]([F:13])([F:28])[F:29])[cH:20][c:19]([C:21]([F:22])([F:23])[F:24])[cH:18]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2