HRID311258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6919

2-Furancarboxylic acid

C5H4O3

HCID78623

N,N-Dimethylformamide dineopentyl acetal

C13H29NO2

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(CO)c3)c(F)c2)C(=O)O1

HCID18378806

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(COC(=O)c4ccco4)c3)c(F)c2)C(=O)O1

HCID178474619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9ce71f368674214892da54aa93a88da
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

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