HRID300748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(F)c(F)cc3cc2c1=O

HCID19423688

未命名化合物

HCID54120210

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCNC(c5ccc(OCCO)cc5)C4)c(F)cc3cc2c1=O

HCID53945605

Ethyl 7,9-difluoro-1,4-dihydro-8-[3-[4-(2-hydroxyethoxy)phenyl]-1-piperazinyl]-1-methyl-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate

C28H28F2N4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f7b5932de1349e6a9712d63c4c0c7c8
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

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