HRID317819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31374

Dimethylacetamide

C4H9NO

HCID95417

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

C17H14O

3 次

HCID3294524

2-Fluoro-6-methoxyphenylboronic acid

C7H8BFO3

HCID18455767

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(F)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1

HCID18455758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ad08d46cee74620b2f09f96a911b469
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[cH:3][c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8][n:9]2)[c:17]([CH3:19])[cH:18]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:57][N:58]([CH3:59])[C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][OH:65].[CH:105](=[CH:106][C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)=[O:116])[c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[F:20][c:21]1[c:22]([B:29]([OH:30])[OH:31])[c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]1.[K+:36].[K+:37].[OH2:66].[Pd:67].[Pd:68].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:2]1(-[c:22]2[c:21]([F:20])[cH:26][cH:25][cH:24][c:23]2[O:27][CH3:28])[cH:3][c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8][n:9]2)[c:17]([CH3:19])[cH:18]1