HRID1240073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID12286

3-Bromopyridine

C5H4BrN

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID23298128

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cccnc2)c1

HCID54167800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3527d5cfcae84144b63629819bd79d49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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