HRID96817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

HCID4641409

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

C10H15N6O+

HCID58171954

N5-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-2-methyl-pyridine-3,5-diamine

C17H17N5O

PRODUCTS

产物

HCID58171900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d685052c7469498db7909d4875c709b5
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:50][O:51][c:52]1[cH:53][cH:54][c:55](-[c:58]2[cH:59][n:60][c:61]([NH:64][c:65]3[cH:66][c:67]([NH2:72])[c:68]([CH3:71])[n:69][cH:70]3)[n:62][cH:63]2)[cH:56][cH:57]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[NH:72][c:67]2[cH:66][c:65]([NH:64][c:61]3[n:60][cH:59][c:58](-[c:55]4[cH:54][cH:53][c:52]([O:51][CH3:50])[cH:57][cH:56]4)[cH:63][n:62]3)[cH:70][n:69][c:68]2[CH3:71])[CH2:10][CH2:11][CH2:12][CH2:13]1