HRID189965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl acetate

C4H8O2

HCID15618557

4-Hydroxy-5-(trifluoromethyl)-3-quinolinecarboxylic acid

C11H6F3NO3

HCID57516847

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC#Cc1cc(N2C3CCC2CC3)ccc1NC(=O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O

HCID46194561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c07c6cb502cb4ce982bab1ecf449af37
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

[CH3:45][CH:46]1[CH2:47][CH2:48][CH2:49][O:50]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:19]12[CH2:20][CH2:21][CH:22]([CH2:23][CH2:24]1)[N:25]2[c:26]1[cH:27][c:28]([C:33]#[C:34][CH2:35][N:36]([CH3:37])[CH3:38])[c:29]([NH2:30])[cH:31][cH:32]1.[O:1]=[c:2]1[c:3]([C:16](=[O:17])[OH:18])[cH:4][nH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[c:11]12.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[O:1]=[c:2]1[c:3]([C:16](=[O:18])[NH:30][c:29]2[c:28]([C:33]#[C:34][CH2:35][N:36]([CH3:37])[CH3:38])[cH:27][c:26]([N:25]3[CH:19]4[CH2:20][CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:32][cH:31]2)[cH:4][nH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[c:11]12