HRID1547797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7961

Bromobenzene

C6H5Br

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：COc1cc2nccc(Oc3ccc4c(N)nn(C)c4c3)c2cc1OC

HCID44562290

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc4c(Nc5ccccc5)nn(C)c4c3)c2cc1OC

HCID44562369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06a8f85e8bb6425786c31eac9b45ca3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:7][O:8][c:9]1[cH:10][c:11]2[c:12]([O:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([NH2:32])[n:27][n:28]([CH3:31])[c:29]4[cH:30]3)[cH:13][cH:14][n:15][c:16]2[cH:17][c:18]1[O:19][CH3:20].[Na+:6].[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.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48]>>[CH3:7][O:8][c:9]1[cH:10][c:11]2[c:12]([O:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([NH:32][c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[n:27][n:28]([CH3:31])[c:29]4[cH:30]3)[cH:13][cH:14][n:15][c:16]2[cH:17][c:18]1[O:19][CH3:20]