HRID90370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID6228

Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID1516506

Azetidin-3-amine

C3H8N2

HCID22121246

未命名化合物

PRODUCTS

产物

HCID22121272

7-(3-Aminoazetidine-1-yl)-1-(6-amino-5-fluoropyridine-2-yl)-8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C18H14BrF2N5O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-49589f793c2c481783c3120beb5d528c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[ClH:31].[ClH:32].[NH2:33][CH:34]1[CH2:35][NH:36][CH2:37]1.[NH2:6][c:7]1[c:8]([F:30])[cH:9][cH:10][c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([F:24])[c:21]([Br:23])[c:22]23)[n:12]1>>[NH2:6][c:7]1[c:8]([F:30])[cH:9][cH:10][c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([N:36]4[CH2:35][CH:34]([NH2:33])[CH2:37]4)[c:21]([Br:23])[c:22]23)[n:12]1