HRID283601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

HCID2764

Ciprofloxacin

C17H18FN3O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID107332

Butanoic acid, 2-chloro-3-oxo-, methyl ester

C5H7ClO3

PRODUCTS

生成物

结构：COC(=O)C(C(C)=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

HCID13337931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-209a7e8ae9de4de681244cc0fac506c6
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

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