HRID1229502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4100862

2-Ethylphenylboronic acid

C8H11BO2

HCID59635470

未命名化合物

PRODUCTS

生成物

HCID67272898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d35185e7e7354d0ca1a4b990c3ebdb0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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