HRID166241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID81184

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

C9H16N2

HCID4713500

2-methyl-2,7-diazaspiro[4.4]nonane

C8H16N2

HCID12790859

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

C11H8ClFN2O3

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC4(CCN(C)C4)C3)nc21

HCID461885

1-Ethyl-6-fluoro-1,4-dihydro-7-(7-methyl-2,7-diazaspiro[4.4]non-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C19H23FN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c6ae63d44a942f19efcfbcb412be627
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

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