HRID211067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID996

Phenol

C6H6O

HCID11571

3,5-Dichlorophenol

C6H4Cl2O

HCID87140

O-(2,4-Dinitrophenyl)hydroxylamine

C6H5N3O5

HCID2794249

未命名化合物

HCID11736040

O-(3,5-dichlorophenyl)hydroxylamine

C6H5Cl2NO

结构：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=O)CC2

HCID19705190

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=NOc1ccccc1)CC2

HCID53666218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03c947aa309d484197a703d3c49d0f1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:49][C:50]([CH3:51])([CH3:52])[C:53](=[O:54])[NH:55][c:56]1[n:57][c:58]2[c:63]([c:64]([NH:66][C:67](=[O:68])[C:69]([CH3:70])([CH3:71])[CH3:72])[n:65]1)[CH2:62][C:61](=[O:73])[CH2:60][CH2:59]2.[CH3:74][CH2:75][OH:76].[Cl:16][c:17]1[cH:18][c:19]([OH:20])[cH:21][c:22]([Cl:23])[cH:24]1.[Cl:39][c:40]1[cH:41][c:42]([O:43][NH2:44])[cH:45][c:46]([Cl:47])[cH:48]1.[N+:25]([c:26]1[cH:27][c:28]([N+:29]([O-:30])=[O:31])[cH:32][cH:33][c:34]1[O:35][NH2:36])([O-:37])=[O:38].[OH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[c:1]1([O:7][NH2:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([O:7][N:8]=[C:61]2[CH2:60][CH2:59][c:58]3[n:57][c:56]([NH:55][C:53]([C:50]([CH3:49])([CH3:51])[CH3:52])=[O:54])[n:65][c:64]([NH:66][C:67](=[O:68])[C:69]([CH3:70])([CH3:71])[CH3:72])[c:63]3[CH2:62]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1