HRID309575

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

HCID5210422

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

C13H9F2NO3

HCID15167905

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCc1ccc2c(c1)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

HCID57294131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157d005e3dad48b7973607135fc5f822
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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