HRID1119875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1515259

Methyl 4-piperidineacetate

C8H15NO2

结构：O=C(Nc1ccc(C2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID57652049

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1CCN(C(=O)N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)CC1

HCID66738795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eed37907d5e43898fb3b684f8f189f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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