HRID202226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID13062969

3,5-Dibromo-1-methylpyrazin-2(1H)-one

C5H4Br2N2O

HCID57625120

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C)C(c2ccc(Nc3nc(Br)cn(C)c3=O)cc2)C1=O

HCID57625129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db34d165e1a1435fa52350037a6ddf41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:17][c:18]1[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Br:24])[n:23]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:89]1[O:90][CH2:91][CH2:92][O:93][CH2:94]1.[Cs+:31].[Cs+:32].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9](=[O:16])[N:10]([CH3:15])[CH2:11][CH2:12][N:13]2[CH3:14])[cH:6][cH:7]1.[O:35]=[C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Pd:33].[Pd:34]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9](=[O:16])[N:10]([CH3:15])[CH2:11][CH2:12][N:13]2[CH3:14])[cH:6][cH:7]1)[c:18]1[c:19](=[O:26])[n:20]([CH3:25])[cH:21][c:22]([Br:24])[n:23]1