HRID111284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

HCID58577454

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Oc2ccc(N=C(c3ccccc3)c3ccccc3)cc2)nc2ccccc21

HCID58577298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e56462255f54bad80aa78ae31ef970e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[n:8][c:9]3[c:10]([n:11]2[CH3:12])[cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]1.[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].[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[Na+:24].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:39].[Pd:46].[Pd:47]>>[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][cH:4][c:5]([O:6][c:7]2[n:8][c:9]3[c:10]([n:11]2[CH3:12])[cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]1