HRID98441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3144

4,7,10,13,16,19-Docosahexaenoic acid

C22H32O2

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=CCC=CCCC(=O)NCCNC(=O)c1cccnc1

HCID69809389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0681f062280748ebad8ed55addf36d55
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:20]([CH2:21][CH2:22][CH:23]=[CH:24][CH2:25][CH:26]=[CH:27][CH2:28][CH:29]=[CH:30][CH2:31][CH:32]=[CH:33][CH2:34][CH:35]=[CH:36][CH2:37][CH:38]=[CH:39][CH2:40][CH3:41])(=[O:42])[OH:43].[CH3:77][C:78]#[N:79].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[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-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]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][CH:23]=[CH:24][CH2:25][CH:26]=[CH:27][CH2:28][CH:29]=[CH:30][CH2:31][CH:32]=[CH:33][CH2:34][CH:35]=[CH:36][CH2:37][CH:38]=[CH:39][CH2:40][CH3:41])=[O:42]