HRID204662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID5154241

Octahydro-1H-pyrrolo[3,4-b]pyridine

C7H14N2

结构：N#Cc1c(Cl)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID15347191

7-Chloro-8-cyano-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

C14H8ClFN2O3

PRODUCTS

生成物

结构：N#Cc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID9865506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d64dad19dd7248618a486229de15fd54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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