HRID192189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

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

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID10726911

2-Bromo-3-ethoxycyclopent-2-enone

C7H9BrO2

PRODUCTS

生成物

HCID21986139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4118dd84602400b9d2f7f45bed5743e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][C:2]1=[C:6]([O:7][CH2:8][CH3:9])[CH2:5][CH2:4][C:3]1=[O:10].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:60][CH2:61][OH:62].[K+:11].[K+:12].[O-:13][C:14]([O-:15])=[O:16].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:59].[OH:17][B:18]([OH:19])[c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1.[Pd:63].[Pd:64].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:2]1([c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)=[C:6]([O:7][CH2:8][CH3:9])[CH2:5][CH2:4][C:3]1=[O:10]