HRID157484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID4113

Methoxyamine

CH5NO

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID10867527

Methyl 3-formyl-4-nitrobenzoate

C9H7NO5

PRODUCTS

生成物

HCID53889174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-505371064c6b45ec87b3fa58dae9cca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:16]([Cl:17])[Cl:18].[CH2:33]([N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH2:50]([O:51][CH2:52][CH3:53])[CH3:54].[CH3:24][C:25](=[O:26])[O-:27].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]1[N+:13](=[O:14])[O-:15].[ClH:19].[Na+:23].[O:20]([CH3:21])[NH2:22].[OH2:55].[S:28]([O-:29])([OH:30])(=[O:31])=[O:32]>>[CH:1]([c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]1[N+:13](=[O:14])[O-:15])=[N:22][O:20][CH3:21]