HRID202585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

结构：COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID5379

Gatifloxacin

C19H22FN3O4

HCID8471

Triethylamine

C6H15N

HCID66057

2-Methylpiperazine

C5H12N2

HCID139565

Difluoroborane

HBF2

结构：COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID7019465

1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C14H11F2NO4

PRODUCTS

生成物

HCID5379

Gatifloxacin

C19H22FN3O4

HCID139565

Difluoroborane

HBF2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb9acbf424a84d7e86d7410dd57114bd
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

[B:29]([F:30])[F:31].[CH3:1][O:2][c:3]1[c:4]([N:5]2[CH2:6][CH2:7][NH:8][CH:9]([CH3:10])[CH2:11]2)[c:12]([F:13])[cH:14][c:15]2[c:16]1[n:17]([CH:25]1[CH2:26][CH2:27]1)[cH:18][c:19]([C:20]([OH:21])=[O:22])[c:23]2=[O:24].[CH3:53][CH:54]1[CH2:55][NH:56][CH2:57][CH2:58][NH:59]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:67][S:68]([CH3:69])=[O:70].[CH3:71][CH2:72][OH:73].[CH:32]1([n:33]2[c:34]3[c:35]([cH:36][c:37]([F:38])[c:39]([F:40])[c:41]3[O:42][CH3:43])[c:44](=[O:45])[c:46]([C:47]([OH:48])=[O:49])[cH:50]2)[CH2:51][CH2:52]1.[ClH:28]>>[B:29]([F:30])[F:31].[CH3:1][O:2][c:3]1[c:4]([N:5]2[CH2:6][CH2:7][NH:8][CH:9]([CH3:10])[CH2:11]2)[c:12]([F:13])[cH:14][c:15]2[c:16]1[n:17]([CH:25]1[CH2:26][CH2:27]1)[cH:18][c:19]([C:20](=[O:21])[OH:22])[c:23]2=[O:24]