HRID678968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID10241064

N-(2-Morpholinylmethyl)acetamide

C7H14N2O2

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

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCO1

HCID54197526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da9fa4e6b5dc4f0d897fbee3d435a895
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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