HRID2162067

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：N#Cc1cc(F)cc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]

HCID66589147

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(C#N)c([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1)c1ccc(F)cc1

HCID66589160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0127511f814444579e32b0fbe60fbb26
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

[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]([N+:19](=[O:20])[O-:21])[c:12]([C:13]#[N:14])[cH:15][c:16]([F:18])[cH:17]3)[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]([N+:19](=[O:20])[O-:21])[c:12]([C:13]#[N:14])[cH:15][c:16]([NH:31][CH:29]([c:26]4[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]4)[CH3:30])[cH:17]3)[n:7][nH:8]2)[CH2:2][CH2:3]1