HRID288791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID737382

4-Bromo-2-(trifluoromethoxy)aniline

C7H5BrF3NO

HCID11708078

5-CYANO-1-METHYL-1H-PYRROL-2-YLBORONIC ACID

C6H7BN2O2

PRODUCTS

生成物

HCID16050528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d59c181d6354b4793bbd136ab6c7260
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([O:9][C:10]([F:11])([F:12])[F:13])[c:5]([NH2:6])[cH:7][cH:8]1.[C:14](#[N:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[n:20]1[CH3:21].[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])([CH3:38])[CH3:39].[F-:25].[K+:26].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:14]#[N:15])[n:20]2[CH3:21])[cH:3][c:4]([O:9][C:10]([F:11])([F:12])[F:13])[c:5]([NH2:6])[cH:7][cH:8]1