HRID286861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7237

o-Xylene

C8H10

HCID19660

Carbonate

CO3-2

2 次

HCID77039

N-Methylhomoveratrylamine

C11H17NO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)N(CCCCl)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID23323132

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN(C)CCCN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC

HCID54053041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ab68fec38634dbb8d5d59fa32786767
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

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