HRID299356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID4641409

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

C10H15N6O+

HCID22993565

4-(4-Chlorophenyl)piperidine-4-carbonitrile

C12H13ClN2

HCID59813981

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c(-c2ncco2)nn1CC(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1

HCID16128273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f23a01bd0441450e86ce6831021158ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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