HRID2340405

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-

HCID95417

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

C17H14O

3 次

HCID2736209

(2,4-Dimethoxypyrimidin-5-yl)boronic acid

C6H9BN2O4

HCID12338585

5,7-Dichloro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C10H8Cl2N2O

PRODUCTS

产物

HCID59713805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ae7efc11b29c4008a2dec96d7e5e36dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([B:11]([OH:12])[OH:13])[c:7]([O:9][CH3:10])[n:8]1.[Cl:16][C:17]1=[N:18][CH2:19][C:20](=[O:30])[N:21]([CH3:29])[c:22]2[c:23]1[cH:24][c:25]([Cl:28])[cH:26][cH:27]2.[F-:14].[K+:15].[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Pd:31].[Pd:32]>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([C:17]2=[N:18][CH2:19][C:20](=[O:30])[N:21]([CH3:29])[c:22]3[c:23]2[cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[c:7]([O:9][CH3:10])[n:8]1