HRID2128471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID70672

Benzyltriphenylphosphonium

C25H22P+

HCID23157474

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(-c2cc(CCc3ccccc3)[nH]n2)cc1

HCID23157373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4e92a6ebe7f4188bd7b976d2b1cee38
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-:18].[C:45](=[O:46])([O-:47])[O-:48].[C:65].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[P+:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:62][CH2:63][OH:64].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][nH:11][c:12]([CH:14]=[O:15])[cH:13]2)[cH:7][cH:8]1)([F:16])[F:17].[K+:49].[K+:50].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:51].[Pd:66]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][nH:11][c:12]([CH2:14][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:13]2)[cH:7][cH:8]1)([F:16])[F:17]