HRID2334494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2337

Benzocaine

C9H11NO2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID3614350

3,5-DIBROMO-1-METHYLPYRIDIN-2(1H)-ONE

C6H5Br2NO

PRODUCTS

生成物

HCID58729035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbcc465146cb4ee9b9e7e897901c0894
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

[Br:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[cH:5][c:6]([Br:8])[cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:11][CH2:12][O:13][C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cs+:27].[Cs+:28].[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[OH2:36].[Pd:37].[Pd:38]>>[c:2]1([NH:20][c:19]2[cH:18][cH:17][c:16]([C:14]([O:13][CH2:12][CH3:11])=[O:15])[cH:22][cH:21]2)[c:3](=[O:10])[n:4]([CH3:9])[cH:5][c:6]([Br:8])[cH:7]1