HRID2155517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7582

Dicyclohexylamine

C12H23N

HCID10908

tert-Butyl acetate

C6H12O2

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID96745

3-Bromo-4-fluorotoluene

C7H6BrF

HCID4060964

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID67076289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30de3743f2c84c1fae03b9d09dd8efe4
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

[B-:27]([F:28])([F:29])([F:30])[F:31].[Br:45][c:46]1[cH:47][c:48]([CH3:53])[cH:49][cH:50][c:51]1[F:52].[C:19]([CH3:20])(=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[C:32]([PH+:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:1]1([NH:2][CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:61].[Pd:62]>>[C:19]([CH2:20][c:46]1[cH:47][c:48]([CH3:53])[cH:49][cH:50][c:51]1[F:52])(=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]