HRID172420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID79334

3-tert-Butylaniline

C10H15N

HCID130500

未命名化合物

HCID220875

4-Oxo-1,4-dihydroquinoline-3-carboxylic acid

C10H7NO3

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1

HCID59410131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a55eb3e1bb641c8951ababb3c28e0cf
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

[C:46]([CH3:47])([CH3:48])([CH3:49])[c:50]1[cH:51][c:52]([NH2:53])[cH:54][cH:55][cH:56]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[O:1]=[c:2]1[c:3]([C:12](=[O:13])[OH:14])[cH:4][nH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[O:1]=[c:2]1[c:3]([C:12](=[O:14])[NH:53][c:52]2[cH:51][c:50]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:56][cH:55][cH:54]2)[cH:4][nH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12