HRID1538669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID45116207

1-(5-Fluoropyridin-3-yl)methanamine

C6H7FN2

HCID57919820

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cncc(F)c1

HCID57920001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ea6af7efbdd4f5593a4405ee633270f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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