HRID1233714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2794785

4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline

C9H10N4

HCID53485802

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2ccnc(Nc3ccc(-c4nncn4C)cc3)n2)cc1

HCID59587979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72ee7b3964924d738abe60f8a648c0c9
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

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