HRID1575256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID83795

1-Acetylpiperazine

C6H12N2O

HCID105144

Palladium(2+)

Pd+2

HCID522679

4-Bromo-2-methyl-6-nitroaniline

C7H7BrN2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1

HCID22021054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-992b723d1ef643c680e2966d221155ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([NH2:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[C:13]([CH3:14])(=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[C:22]([P:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:40].[Pd+2:52]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([C:13]([CH3:14])=[O:15])[CH2:21][CH2:20]2)[cH:3][c:4]([CH3:12])[c:5]([NH2:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1