HRID110911

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

HCID90908

2-Pyrrolidinemethanol

C5H11NO

HCID4641409

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

C10H15N6O+

结构：NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)O)cc1

HCID59587642

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N2CCCC2CO)cc1

HCID68516405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33b44314f26744b4aa1a814ab5eb34ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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