HRID294854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3209

5,8,11,14,17-Eicosapentaenoic acid

C20H30O2

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID571799

SG 1842

C8H11N3O

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)c1cccnc1

HCID69809776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84855d6c6b504ee38769a473091e9501
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:20]([CH2:21][CH2:22][CH2:23][CH:24]=[CH:25][CH2:26][CH:27]=[CH:28][CH2:29][CH:30]=[CH:31][CH2:32][CH:33]=[CH:34][CH2:35][CH:36]=[CH:37][CH2:38][CH3:39])(=[O:40])[OH:41].[CH3:75][C:76]#[N:77].[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH2:9][CH2:10][NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[NH:8]([CH2:9][CH2:10][NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19])[C:20]([CH2:21][CH2:22][CH2:23][CH:24]=[CH:25][CH2:26][CH:27]=[CH:28][CH2:29][CH:30]=[CH:31][CH2:32][CH:33]=[CH:34][CH2:35][CH:36]=[CH:37][CH2:38][CH3:39])=[O:40]

反应方程式

反应物

5,​8,​11,​14,​17-​Eicosapentaenoic acid

Acetonitrile

未命名化合物

Ethyl acetate

Hexafluorophosphate ion

Diisopropylethylamine

SG 1842

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

生成物

未命名化合物

5,8,11,14,17-Eicosapentaenoic acid