HRID2140216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

HCID57445006

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(COC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1

HCID42609860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61444d4d25f74d96a1ce0950392e2ade
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([O:2][CH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH3:10])[CH2:8][CH2:9]1)([O:11][c:12]1[cH:13][cH:14][c:15]([N+:16]([O-:17])=[O:18])[cH:19][cH:20]1)=[O:21].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[F:31][c:32]1[cH:33][cH:34][c:35]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:36][cH:37]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[C:1]([O:2][CH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH3:10])[CH2:8][CH2:9]1)(=[O:21])[N:41]1[CH2:40][CH2:39][N:38]([c:35]2[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]2)[CH2:43][CH2:42]1