HRID812735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID139565

Difluoroborane

HBF2

HCID3826051

未命名化合物

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

HCID14457269

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1c(N2CC(N)C(OC)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID14457289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e54d41165bba4604b97854000f3989c3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B:35]([F:36])[F:37].[CH3:1][O-:2].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][S:46](=[O:47])[CH3:48].[CH:14]1([n:17]2[cH:18][c:19]([C:32](=[O:33])[OH:34])[c:20](=[O:31])[c:21]3[cH:22][c:23]([F:30])[c:24]([F:29])[c:25]([O:27][CH3:28])[c:26]23)[CH2:15][CH2:16]1.[ClH:4].[ClH:5].[NH2:6][CH:7]1[CH2:8][NH:9][CH2:10][CH:11]1[O:12][CH3:13].[Na+:3].[OH2:49]>>[ClH:4].[NH2:6][CH:7]1[CH2:8][N:9]([c:24]2[c:23]([F:30])[cH:22][c:21]3[c:20](=[O:31])[c:19]([C:32](=[O:33])[OH:34])[cH:18][n:17]([CH:14]4[CH2:15][CH2:16]4)[c:26]3[c:25]2[O:27][CH3:28])[CH2:10][CH:11]1[O:12][CH3:13]