HRID87484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID7622

Tributylamine

C12H27N

HCID8857

Ethyl acetate

C4H8O2

HCID11466

1-Bromo-4-nitrobenzene

C6H4BrNO2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(NC(=O)c2ccccc2)c1

HCID67343635

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1

HCID67344732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c02badb70f046bf99200f9ac8b4fb3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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