HRID173276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID556888

1-Aminocyclopropanecarbonitrile

C4H6N2

HCID4641409

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

C10H15N6O+

结构：O=C(O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCC2(CCCC2)CC1

HCID66661165

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)C(CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CCCC3)CC2)CC1

HCID74382624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7ea00472dde4a4b8b1b5ccc00c8607e
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

[CH2:41]1[CH2:42][CH2:43][CH2:44][C:45]12[CH2:46][CH2:47][N:48]([C:51](=[O:52])[NH:53][CH:54]([C:55](=[O:56])[OH:57])[CH2:58][C:59]([CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)([F:67])[F:68])[CH2:49][CH2:50]2.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:34].[NH2:35][C:36]1([C:39]#[N:40])[CH2:37][CH2:38]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[NH:35]([C:36]1([C:39]#[N:40])[CH2:37][CH2:38]1)[C:55]([CH:54]([NH:53][C:51]([N:48]1[CH2:47][CH2:46][C:45]2([CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:50][CH2:49]1)=[O:52])[CH2:58][C:59]([CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)([F:67])[F:68])=[O:56]