HRID97460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6362

2-Iodopropane

C3H7I

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1cn(C2CC2)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

HCID122848

8-Fluorociprofloxacin

C17H17F2N3O3

PRODUCTS

生成物

HCID24841

Hydrogen iodide

结构：CC(C)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1

HCID465566

3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-

C20H23F2N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae63d2b8c08245f5a7929de00768c528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH:1]1([n:4]2[cH:5][c:6]([C:23](=[O:24])[OH:25])[c:7](=[O:22])[c:8]3[cH:9][c:10]([F:21])[c:11]([N:15]4[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[CH:26]([CH3:27])([CH3:28])[I:29]>>[CH:1]1([n:4]2[cH:5][c:6]([C:23](=[O:24])[OH:25])[c:7](=[O:22])[c:8]3[cH:9][c:10]([F:21])[c:11]([N:15]4[CH2:16][CH2:17][N:18]([CH:26]([CH3:27])[CH3:28])[CH2:19][CH2:20]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[IH:29]