HRID193545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID53485949

5,8-Dibromoimidazo[1,2-a]pyrazine

C6H3Br2N3

PRODUCTS

生成物

HCID59023096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b78c093855af4cd29c42d851a2dfe4ae
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[cH:3][n:4][c:5]([Br:11])[c:6]2[n:7]1[cH:8][cH:9][n:10]2.[CH3:12][O:13][C:14]([c:15]1[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]1)=[O:22].[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Na+:28].[O:31]=[C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Pd:29].[Pd:30]>>[Br:1][c:2]1[cH:3][n:4][c:5]([NH:21][c:18]2[cH:17][cH:16][c:15]([C:14]([O:13][CH3:12])=[O:22])[cH:20][cH:19]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2