HRID2313081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Nc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1

HCID23114671

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1

HCID23114862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0213099a50644c44b8f4a65f889979ea
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

[CH3:34][S:35]([Cl:36])(=[O:37])=[O:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:7][c:8]1[c:9]([CH:15]([c:16]2[c:17]([F:23])[cH:18][cH:19][c:20]([F:22])[cH:21]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:10][c:11]([NH2:14])[n:12][cH:13]1.[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[Cl:7][c:8]1[c:9]([CH:15]([c:16]2[c:17]([F:23])[cH:18][cH:19][c:20]([F:22])[cH:21]2)[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:10][c:11]([NH:14][S:35]([CH3:34])(=[O:37])=[O:38])[n:12][cH:13]1