HRID675729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(O)C2C1CCN2C(=O)OCc1ccccc1

HCID67607394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C2C1CCN2C(=O)OCc1ccccc1

HCID67607020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd176035cc88444297a96a9aca09a1e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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