HRID1225147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

HCID272696

1-Propene, 2-bromo-3,3,3-trifluoro-

C3H2BrF3

结构：CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=C1CC(=O)c2ccccc2C1=O

HCID86649773

未命名化合物

PRODUCTS

生成物

结构：C=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F

HCID49820882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb10262bf99a404eaa743d460824253e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:18][C:19](=[CH2:20])[C:21]([F:22])([F:23])[F:24].[C:25](=[O:26])([O-:27])[O-:28].[CH:38]([c:39]1[cH:40][cH:41][cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[c:47]1[N:48]1[CH:49]=[CH:50][N:51]([c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][cH:58][cH:59][c:60]2[CH:61]([CH3:62])[CH3:63])[C:64]1=[C:65]1[CH2:66][C:67](=[O:68])[c:69]2[c:70]([cH:71][cH:72][cH:73][cH:74]2)[C:75]1=[O:76])([CH3:77])[CH3:78].[F:1][C:2]([c:3]1[cH:4][c:5]([B:13]([OH:14])[OH:15])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17].[K+:29].[K+:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:36].[Pd:37]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:19](=[CH2:20])[C:21]([F:22])([F:23])[F:24])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17]