HRID686498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID31374

Dimethylacetamide

C4H9NO

HCID31404

Butylated hydroxytoluene

C15H24O

HCID76543

3,5-Dimethyl-4-aminophenol

C8H11NO

HCID258041

5-chloro-N-methyl-2-nitroaniline

C7H7ClN2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(Oc2cc(C)c(N)c(C)c2)ccc1[N+](=O)[O-]

HCID66701665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebeeadb5a9ef4f439846e028a122fac7
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:13]([c:14]1[cH:15][c:16]([CH3:17])[cH:18][c:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:24]1[OH:25])([CH3:26])([CH3:27])[CH3:28].[CH3:29][c:30]1[cH:31][c:32]([OH:33])[cH:34][c:35]([CH3:36])[c:37]1[NH2:38].[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([NH:8][CH3:9])[cH:7]1.[K+:44].[OH2:51]>>[c:2]1([O:33][c:32]2[cH:31][c:30]([CH3:29])[c:37]([NH2:38])[c:35]([CH3:36])[cH:34]2)[cH:3][cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([NH:8][CH3:9])[cH:7]1