HRID162675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID14975195

2-Bromo-4,6-dimethylpyridine

C7H8BrN

结构：C=Cc1nn(C2CCCCO2)c2cc([N+](=O)[O-])ccc12

HCID22136521

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)nc(C=Cc2nn(C3CCCCO3)c3cc([N+](=O)[O-])ccc23)c1

HCID69353211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb7ee49e55d04894b850cf1f2cd9cdfa
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[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH:10](=[CH2:11])[c:12]1[n:13][n:14]([CH:24]2[O:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:15]2[cH:16][c:17]([N+:21](=[O:22])[O-:23])[cH:18][cH:19][c:20]12.[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[Pd+2:70].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51]>>[c:2]1([CH:11]=[CH:10][c:12]2[n:13][n:14]([CH:24]3[O:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[c:15]3[cH:16][c:17]([N+:21](=[O:22])[O-:23])[cH:18][cH:19][c:20]23)[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1