HRID196894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID239604

5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C11H12O2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID59314152

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cccc3c2CCCC3)Cc2ccc(C#N)cc2C1

HCID59314125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cd7be167b114c75bff068fa3880c623
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

[CH2:14]([CH3:15])[O:16][C:17](=[O:18])[C:19]1([NH2:30])[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:28]#[N:29])[cH:25][c:26]2[CH2:27]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[c:1]1([C:11](=[O:12])[OH:13])[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH2:6]2.[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[c:1]1([C:11](=[O:13])[NH:30][C:19]2([C:17]([O:16][CH2:14][CH3:15])=[O:18])[CH2:20][c:21]3[cH:22][cH:23][c:24]([C:28]#[N:29])[cH:25][c:26]3[CH2:27]2)[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH2:6]2