HRID152582

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：O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O

HCID535414

1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

C13H8F3NO3

HCID15167905

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCc1ccc2c(c1)CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

HCID57151875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65b539db923248ae929b92fe50f326b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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