HRID215540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81184

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

C9H16N2

结构：Nc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

HCID13910947

5-Amino-1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C13H9F3N2O3

HCID15167905

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCc1ccc2c(c1)CN(c1c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

HCID57008315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d91e6ae5699e439daf22e6aa3b590325
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

[BrH:22].[C:23]([CH3:24])(=[O:25])[NH:26][CH2:27][c:28]1[cH:29][c:30]2[c:34]([cH:35][cH:36]1)[CH2:33][NH:32][CH2:31]2.[CH2:37]1[CH2:38][CH2:39][C:40]2=[N:45][CH2:44][CH2:43][CH2:42][N:41]2[CH2:46][CH2:47]1.[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([NH2:17])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([NH2:17])[c:10]([F:16])[c:11]([N:32]4[CH2:31][c:30]5[cH:29][c:28]([CH2:27][NH:26][C:23]([CH3:24])=[O:25])[cH:36][cH:35][c:34]5[CH2:33]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1