HRID91879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

结构：O=[N+]([O-])c1cc(F)c(F)cc1Nc1cc(C2CC2)[nH]n1

HCID66589189

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1F)c1ccc(F)cc1

HCID72986381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea352d965b44158a9118a42d2fd153d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([N+:18](=[O:19])[O-:20])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]3)[n:7][nH:8]2)[CH2:2][CH2:3]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH3:29])[NH2:30])[cH:26][cH:27]1>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([N+:18](=[O:19])[O-:20])[cH:12][c:13]([F:17])[c:14]([NH:30][CH:28]([c:25]4[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]4)[CH3:29])[cH:15]3)[n:7][nH:8]2)[CH2:2][CH2:3]1