HRID146531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

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

HCID1268243

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

C17H10ClF3N2O3

HCID15228837

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(n4ccnn4)C3)c(F)cc2c1=O

HCID19006029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a2e7bd555e540efa96f31bd4156573e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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