HRID100829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID943

Nitrate

NO3-

3 次

HCID962

Water

H2O

3 次

HCID9005

Trimethoxymethane

C4H10O3

HCID105172

Thallic cation

Tl+3

结构：Cc1c(C)c2c(c(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)O2

HCID15227571

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1)C(C(=O)O)C(C)(C)O2

HCID53890163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-399591cffef440a6b63bdb5df4aaa75c
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

[CH3:45][O:46][CH:47]([O:48][CH3:49])[O:50][CH3:51].[CH3:52][OH:53].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][c:11]2[c:12]([CH3:26])[c:13]([CH3:25])[c:14]3[c:15]([c:23]2[CH3:24])[C:16](=[O:22])[CH2:17][C:18]([CH3:20])([CH3:21])[O:19]3)[cH:27][cH:28]1.[N+:32](=[O:33])([O-:34])[O-:35].[N+:37]([O-:38])([O-:39])=[O:40].[N+:41]([O-:42])([O-:43])=[O:44].[OH2:29].[OH2:30].[OH2:31].[Tl+3:36]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][c:11]2[c:12]([CH3:26])[c:13]([CH3:25])[c:14]3[c:15]([c:23]2[CH3:24])[CH:17]([C:16]([OH:22])=[O:33])[C:18]([CH3:20])([CH3:21])[O:19]3)[cH:27][cH:28]1