HRID90928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID22482347

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)NC(C)c2cc(F)ccc2-c2ccccc2F)cc1

HCID22482259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c41d81bfcdc4476899da327940f05e2
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:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[Cl:29])[cH:24][cH:25]1.[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[c:3](-[c:8]2[c:9]([CH:15]([CH3:16])[NH2:17])[cH:10][c:11]([F:14])[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1.[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[F:1][c:2]1[c:3](-[c:8]2[c:9]([CH:15]([CH3:16])[NH:17][S:26]([c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:25][cH:24]3)(=[O:27])=[O:28])[cH:10][c:11]([F:14])[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1