HRID1113388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

反应SMILES：O=C(C=Cc1ccc(C(F)(F)F)cc1Br)Nc1ccc2[nH]ccc2c1

HCID68872493

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(-c2cc(C(F)(F)F)ccc2C=CC(=O)Nc2ccc3[nH]ccc3c2)cn1

HCID68872530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4c79926bf9194391b6c86355f1d9baf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:1][c:2]1[c:3]([CH:12]=[CH:13][C:14](=[O:15])[NH:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][nH:22][c:23]3[cH:24][cH:25]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C:63](=[O:64])([O-:65])[O-:66].[CH3:26][O:27][c:28]1[n:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:69][CH2:70][OH:71].[CH:110](=[CH:111][C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)=[O:121])[c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH:74](=[CH:75][C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)=[O:85])[c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH:92](=[CH:93][C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)=[O:103])[c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Na+:67].[Na+:68].[Pd:72].[Pd:73].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1(-[c:31]2[cH:30][n:29][c:28]([O:27][CH3:26])[cH:33][cH:32]2)[c:3]([CH:12]=[CH:13][C:14](=[O:15])[NH:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][nH:22][c:23]3[cH:24][cH:25]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1