HRID296489

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-

HCID544219

Methyl 10-chloro-10-oxodecanoate

C11H19ClO3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID4534583

未命名化合物

PRODUCTS

生成物

HCID23078595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7693780e3fc44483804da55948f083bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])=[O:30].[Li+:15].[N+:32]([CH3:33])([O-:34])=[O:35].[OH2:31].[S:36]([O-:37])([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43].[S:45]([O-:46])([C:47]([F:48])([F:49])[F:50])(=[O:51])=[O:52].[S:53]([O-:54])([C:55]([F:56])([F:57])[F:58])(=[O:59])=[O:60].[Sc+3:44]>>[CH3:1][c:2]1[cH:3][c:4]([C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])=[O:30])[c:5]([O:8][CH3:9])[cH:6][cH:7]1