HRID153757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81184

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

C9H16N2

HCID9835941

8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C13H8ClF2NO3

HCID14774638

6,8-Diazabicyclo[3.2.2]nonane

C7H14N2

PRODUCTS

产物

HCID15085940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9e2b794c366d4a5b863d431ad634956a
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

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