HRID283882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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+

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O

HCID136181634

未命名化合物

PRODUCTS

生成物

结构：O=C1NN=Cc2c(-c3ccccc3)[nH]c3cc(NC(=O)C4CCCCN4)cc1c23

HCID136141757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1954543cabcc4ae8b752a1cad832c626
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18]3[c:19]4[c:20]([c:21](-[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[nH:22][c:23]4[cH:24]2)[cH:31][n:32][nH:33][c:34]3=[O:35])=[O:36])[CH2:10][CH2:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:37]([O:38][C:39]([N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH:45]1[C:46]([OH:47])=[O:48])=[O:49])([CH3:50])([CH3:51])[CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[NH:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18]3[c:19]4[c:20]([c:21](-[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[nH:22][c:23]4[cH:24]2)[cH:31][n:32][nH:33][c:34]3=[O:35])=[O:36])[CH2:10][CH2:11][CH2:12][CH2:13]1