HRID181461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID7502

4-Vinylpyridine

C7H7N

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

反应SMILES：O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cncc(Br)c2)c1

HCID53794286

未命名化合物

PRODUCTS

产物

反应SMILES：O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cncc(C=Cc3ccncc3)c2)c1

HCID54472235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7f3e7275b4b94b78b4034d66f969b9f7
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:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][c:10]2[cH:11][c:12]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[N+:23](=[O:24])[O-:25])[cH:13][cH:14][cH:15]2)[cH:5][n:6][cH:7]1.[C:34](=[O:35])([OH:36])[O-:37].[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:26](=[CH2:27])[c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[Cl-:39].[Na+:38].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62]>>[c:2]1([CH:27]=[CH:26][c:28]2[cH:29][cH:30][n:31][cH:32][cH:33]2)[cH:3][c:4]([CH:8]=[CH:9][c:10]2[cH:11][c:12]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[N+:23](=[O:24])[O-:25])[cH:13][cH:14][cH:15]2)[cH:5][n:6][cH:7]1