HRID696276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID4837

Piperazine

C4H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N=[N+]=[N-])c(F)cc2c1=O

HCID13849345

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-bf6fae47bcb042e09f5dd71042da5aaf
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.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:42][CH2:43][OH:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[ClH:41].[N:7](=[N+:8]=[N-:9])[c:10]1[c:11]([F:34])[cH:12][c:13]2[c:14](=[O:33])[c:15]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:16][n:17](-[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:18]2[n:19]1.[OH2:55]>>[CH2:1]1[CH2:2][N:3]([c:10]2[c:11]([F:34])[cH:12][c:13]3[c:14](=[O:33])[c:15]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:16][n:17](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:18]3[n:19]2)[CH2:4][CH2:5][NH:6]1