HRID122349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID11298344

Piperidine-1-sulfonyl Chloride

C5H10ClNO2S

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：O=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)c1cc(NS(=O)(=O)N2CCCCC2)ncc1Cl

HCID23114834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ab5aa1609034018ae3a540f861bada2
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

[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[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.[N:34]1([S:40](=[O:41])(=[O:42])[Cl:43])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]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:40]([N:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)(=[O:41])=[O:42])[n:12][cH:13]1