HRID87672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID43455771

未命名化合物

HCID57468828

未命名化合物

PRODUCTS

产物

HCID57468960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6280c01821f740b0a0184fabfcd694fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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