HRID2124198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

结构：CN1C(=O)CCC2(C)C3CCC4(C)C(O)CCC4C3CCC12

HCID22622124

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCC2(C)C3CCC4(C)C(Oc5ccc([N+](=O)[O-])cc5)CCC4C3CCC12

HCID178481388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebfd7528737f4061a245c3bf78acc26a
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

[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:33].[OH:1][CH:2]1[C:3]2([CH3:4])[CH:5]([CH2:6][CH2:7]1)[CH:8]1[CH2:9][CH2:10][CH:11]3[N:12]([CH3:22])[C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2>>[O:1]([CH:2]1[C:3]2([CH3:4])[CH:5]([CH2:6][CH2:7]1)[CH:8]1[CH2:9][CH2:10][CH:11]3[N:12]([CH3:22])[C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2)[c:29]1[cH:28][cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:31][cH:30]1