HRID310495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

3 次

HCID95417

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

C17H14O

5 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID4437009

2-Bromo-3-methyl-2-cyclopenten-1-one

C6H7BrO

PRODUCTS

生成物

HCID21986159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-058ade5d31a943219ceec33561863d75
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=[C:6]([CH3:7])[CH2:5][CH2:4][C:3]1=[O:8].[C:15](#[N:16])[c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][OH:54].[CH:56](=[CH:57][C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:67])[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]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.[K+:10].[K+:9].[O-:11][C:12]([O-:13])=[O:14].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]=[C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)[CH:140]=[CH:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:55].[Pd:92].[Pd:93].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:2]1([c:20]2[cH:19][cH:18][c:17]([C:15]#[N:16])[cH:22][cH:21]2)=[C:6]([CH3:7])[CH2:5][CH2:4][C:3]1=[O:8]