HRID145913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

结构：CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)CC2C1

HCID67164552

未命名化合物

PRODUCTS

生成物

结构：CN1CC2CN(c3ccc4c(c3)C(=O)c3cc(N=C(c5ccccc5)c5ccccc5)ccc3-4)CC2C1

HCID86621142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c812052894a849538f105c8a9d0954a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:12]([cH:13][cH:14]1)-[c:11]1[c:6]([cH:7][c:8]([N:15]3[CH2:16][CH:17]4[CH2:18][N:19]([CH3:23])[CH2:20][CH:21]4[CH2:22]3)[cH:9][cH:10]1)[C:5]2=[O:24].[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[NH:38].[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Na+:44].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53]>>[c:2]1([N:38]=[C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:3][c:4]2[c:12]([cH:13][cH:14]1)-[c:11]1[c:6]([cH:7][c:8]([N:15]3[CH2:16][CH:17]4[CH2:18][N:19]([CH3:23])[CH2:20][CH:21]4[CH2:22]3)[cH:9][cH:10]1)[C:5]2=[O:24]