HRID695475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID557

1-methylpyrrolidine-2-carboxylic acid

C6H11NO2

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CNCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID59410639

未命名化合物

PRODUCTS

生成物

结构：CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1CCCN1C

HCID46842671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc21e657d37e4bf1b2803bbbaeb1ae8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][N:2]1[CH:3]([C:7](=[O:8])[OH:9])[CH2:4][CH2:5][CH2:6]1.[CH3:43][n:44]1[cH:45][n:46][c:47]2[c:48]([C:68]#[N:69])[n:49][c:50](-[c:53]3[cH:54][c:55]([C:64]([F:65])([F:66])[F:67])[c:56]([O:59][CH2:60][CH2:61][NH:62][CH3:63])[cH:57][cH:58]3)[cH:51][c:52]12.[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl:70][CH2:71][Cl:72].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][N:2]1[CH:3]([C:7](=[O:9])[N:62]([CH2:61][CH2:60][O:59][c:56]2[c:55]([C:64]([F:65])([F:66])[F:67])[cH:54][c:53](-[c:50]3[n:49][c:48]([C:68]#[N:69])[c:47]4[n:46][cH:45][n:44]([CH3:43])[c:52]4[cH:51]3)[cH:58][cH:57]2)[CH3:63])[CH2:4][CH2:5][CH2:6]1