HRID2348610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID240

Benzaldehyde

C7H6O

HCID280

Carbon dioxide

CO2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6385

tert-Butylamine

C4H11N

HCID98371

2-tert-Butyl-3-phenyloxaziridine

C11H15NO

HCID111240

2-Propanamine, 2-methyl-N-(phenylmethylene)-

C11H15N

PRODUCTS

生成物

HCID4390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d4cf389805c49d8a25a21428602758f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:26](=[O:27])([OH:28])[O-:29].[C:34]([CH3:35])([CH3:36])([CH3:37])[N:38]1[O:39][CH:40]1[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[C:9]([NH2:10])([CH3:11])([CH3:12])[CH3:13].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:55][C:56](=[O:57])[CH3:58].[CH:14](=[N:15][C:16]([CH3:17])([CH3:18])[CH3:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[O:8].[Na+:30].[O:31]=[C:32]=[O:33].[OH2:54]>>[C:34]([CH3:35])([CH3:36])([CH3:37])[N+:38]([O-:39])=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1