HRID155023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733259

1-cyanocyclopropanecarboxylic acid

C5H5NO2

HCID4641409

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

C10H15N6O+

HCID66965572

未命名化合物

PRODUCTS

生成物

结构：N#CC1(C(=O)Nc2cccc(-c3ccccc3)c2C(N)=O)CC1

HCID67055889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2df87dd09d24e238c11c88e0396031b
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:1](#[N:2])[C:3]1([C:6](=[O:7])[OH:8])[CH2:4][CH2:5]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:58][CH2:59][Cl:60].[NH2:42][c:43]1[c:44]([C:55](=[O:56])[NH2:57])[c:45](-[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:46][cH:47][cH:48]1.[P-:9]([F:10])([F:11])([F:12])([F:13])([F:14])[F:15].[n:16]1([O:17][C:18]([N:19]([CH3:20])[CH3:21])=[N+:22]([CH3:23])[CH3:24])[c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[C:1](#[N:2])[C:3]1([C:6](=[O:8])[NH:42][c:43]2[c:44]([C:55](=[O:56])[NH2:57])[c:45](-[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:46][cH:47][cH:48]2)[CH2:4][CH2:5]1