HRID161218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID560520

未命名化合物

HCID22660131

1-Benzylcyclopentane-1-carboxylic acid

C13H16O2

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C1(Cc2ccccc2)CCCC1

HCID22660114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dddf3cc39444b398b798e62282ce6a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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