HRID1205726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID2759157

3-Fluoropiperidine

C5H10FN

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)CCl)c3c2)c1F

HCID86653260

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C(=O)CN4CCCC(F)C4)c3c2)c1F

HCID44223224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-389e6a05bf10450e9775876cf4d7a9ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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