HRID2317809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID207133

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC2CN(c3cccc(F)c3)C(=O)O2)cc1

HCID18980597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d8cc36b99aa4dd8907798d70f43f4f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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