HRID808863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19709

3,3-Dimethylbutylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CCOc1cc([N+](=O)[O-])c(C=C(C#N)C(CCC(=O)O)C2CCOCC2)cc1Oc1ccccc1

HCID67268421

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc([N+](=O)[O-])c(C=C(C#N)C(CCC(=O)NCCC(C)(C)C)C2CCOCC2)cc1Oc1ccccc1

HCID67269107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68fae2ccc5f74d3dbb61babe227ff376
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[C:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)=[CH:16][c:17]1[c:18]([N+:33](=[O:34])[O-:35])[cH:19][c:20]([O:30][CH2:31][CH3:32])[c:21]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:22]1.[CH3:36][C:37]([CH2:38][CH2:39][NH2:40])([CH3:41])[CH3:42].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[C:1](#[N:2])[C:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:8])[NH:40][CH2:39][CH2:38][C:37]([CH3:36])([CH3:41])[CH3:42])[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)=[CH:16][c:17]1[c:18]([N+:33](=[O:34])[O-:35])[cH:19][c:20]([O:30][CH2:31][CH3:32])[c:21]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:22]1