HRID173065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6375

Nitromethane

CH3NO2

HCID7731

1-Methoxy-4-methylbenzene

C8H10O

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID4534583

未命名化合物

HCID4586585

Methyl 8-chloro-8-oxooctanoate

C9H15ClO3

PRODUCTS

生成物

HCID23078435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04ebffbed8294d2d83a825c30df25ed8
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

[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Cl+3:10]([O-:11])([O-:12])([O-:13])[O-:14].[Cl:16][C:17](=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28].[Li+:15].[N+:30]([CH3:31])([O-:32])=[O:33].[OH2:29].[S:34]([O-:35])([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41].[S:43]([O-:44])([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50].[S:51]([O-:52])([C:53]([F:54])([F:55])[F:56])(=[O:57])=[O:58].[Sc+3:42]>>[CH3:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[c:5]([O:8][CH3:9])[cH:6][cH:7]1