HRID174435

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)c(F)c1Nc1cc(C2CC2)[nH]n1

HCID86079802

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1c(F)cc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1F)c1ccc(F)cc1

HCID145729361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c69d35fb2b847998998b4ed4f85d9cc
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

[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([F:21])[c:12]([F:20])[c:13]([F:19])[cH:14][c:15]3[N+:16](=[O:17])[O-:18])[n:7][nH:8]2)[CH2:2][CH2:3]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][cH:28]1>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([F:21])[c:12]([NH:31][CH:29]([c:26]4[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]4)[CH3:30])[c:13]([F:19])[cH:14][c:15]3[N+:16](=[O:17])[O-:18])[n:7][nH:8]2)[CH2:2][CH2:3]1