HRID2319710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID95417

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

C17H14O

3 次

HCID11535918

6-BROMOPHTHALAZIN-1(2H)-ONE

C8H5BrN2O

PRODUCTS

产物

反应SMILES：COc1ccc(CNc2ccc3c(=O)[nH]ncc3c2)cc1

HCID58447313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-97c8613496bb483c82a428be020b8b27
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[cH:3][c:4]2[cH:5][n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([CH2:19][NH2:20])[cH:21][cH:22]1.[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Pd:36].[Pd:37]>>[c:2]1([NH:20][CH2:19][c:18]2[cH:17][cH:16][c:15]([O:14][CH3:13])[cH:22][cH:21]2)[cH:3][c:4]2[cH:5][n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1