HRID299697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2759157

3-Fluoropiperidine

C5H10FN

结构：COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCCl

HCID66584297

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCC(F)C1

HCID66584167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f295fed27b6b40f6adb198e7771f9f08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:9][c:10]1[cH:11][c:12]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][c:24]([O:35][CH3:36])[c:25]([NH:28][C:29]([CH:30]=[CH:31][CH2:32][Cl:33])=[O:34])[cH:26][c:27]23)[cH:13][cH:14][c:15]1[F:16].[ClH:1].[F:2][CH:3]1[CH2:4][NH:5][CH2:6][CH2:7][CH2:8]1>>[F:2][CH:3]1[CH2:4][N:5]([CH2:32][CH:31]=[CH:30][C:29]([NH:28][c:25]2[c:24]([O:35][CH3:36])[cH:23][c:22]3[n:21][cH:20][n:19][c:18]([NH:17][c:12]4[cH:11][c:10]([Cl:9])[c:15]([F:16])[cH:14][cH:13]4)[c:27]3[cH:26]2)=[O:34])[CH2:6][CH2:7][CH2:8]1