HRID1539917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6375

Nitromethane

CH3NO2

HCID7412

Benzoyl chloride

C7H5ClO

HCID28486

Lithium ion

Li+

HCID78411

3,4-Dimethylanisole

C9H12O

HCID123351

Perchlorate

ClO4-

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID4534583

未命名化合物

PRODUCTS

生成物

HCID23078360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef95821b5b5847939c024bc9cf2d5747
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)(=[O:24])[Cl:25].[CH3:1][c:2]1[cH:3][c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[CH3:8].[Cl+3:11]([O-:12])([O-:13])([O-:14])[O-:15].[F:35][C:36]([F:37])([F:38])[S:39]([O-:40])(=[O:41])=[O:42].[F:44][C:45]([F:46])([F:47])[S:48]([O-:49])(=[O:50])=[O:51].[F:52][C:53]([F:54])([F:55])[S:56]([O-:57])(=[O:58])=[O:59].[Li+:16].[N+:31]([CH3:32])([O-:33])=[O:34].[Na+:26].[OH:27][C:28](=[O:29])[O-:30].[Sc+3:43]>>[CH3:1][c:2]1[cH:3][c:4]([O:9][CH3:10])[c:5]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:6][c:7]1[CH3:8]