HRID149764

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

HCID11055142

7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

C12H8ClFN2O3

HCID13491802

N-[(Pyrrolidin-3-yl)methyl]propan-2-amine

C8H18N2

PRODUCTS

生成物

结构：CC(C)NCC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

HCID13772748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbf8f390e1dd437db44f95ea0d268fb7
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

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