HRID2126469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

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

HCID9835941

8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C13H8ClF2NO3

HCID54547656

未命名化合物

PRODUCTS

生成物

结构：CON=C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC12CN(C(=O)OC(C)(C)C)C2

HCID53905523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d0a94abe04a41d5a7cecaf113eead28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:21][O:22][N:23]=[C:24]1[CH2:25][NH:26][CH2:27][C:28]12[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]2.[CH3:39][C:40]#[N:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[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]([Cl:14])[c:13]23)[CH2:2][CH2:3]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]([N:26]4[CH2:25][C:24](=[N:23][O:22][CH3:21])[C:28]5([CH2:27]4)[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]5)[c:12]([Cl:14])[c:13]23)[CH2:2][CH2:3]1