HRID687671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID4837

Piperazine

C4H10N2

HCID6344

Dichloromethane

CH2Cl2

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(OS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c(F)cc2c1=O

HCID13849335

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCNCC3)c(F)cc2c1=O

HCID13849334

Ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate

C21H19F3N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97aae9b498a14c2193b9cdd4a91d27b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH2:56]([Cl:57])[Cl:58].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[F:7][c:8]1[c:9](-[n:15]2[cH:16][c:17]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[c:18](=[O:45])[c:19]3[cH:20][c:21]([F:44])[c:22]([O:25][S:26]([c:27]4[c:28]([CH:29]([CH3:30])[CH3:31])[cH:32][c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]4[CH:39]([CH3:40])[CH3:41])(=[O:42])=[O:43])[n:23][c:24]23)[cH:10][cH:11][c:12]([F:14])[cH:13]1>>[CH2:1]1[CH2:2][N:3]([c:22]2[c:21]([F:44])[cH:20][c:19]3[c:18](=[O:45])[c:17]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:16][n:15](-[c:9]4[c:8]([F:7])[cH:13][c:12]([F:14])[cH:11][cH:10]4)[c:24]3[n:23]2)[CH2:4][CH2:5][NH:6]1