HRID1575937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4360128

2-(3-fluorophenyl)piperidine

C11H14FN

HCID10535981

6-Chloro-3-nitroimidazo[1,2-b]pyridazine

C6H3ClN4O2

PRODUCTS

生成物

结构：O=[N+]([O-])c1cnc2ccc(N3CCCCC3c3cccc(F)c3)nn12

HCID67307668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f58399397954d55b2739470d51ba12b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH:32]([CH3:33])[CH3:34])[CH3:35].[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([N+:11](=[O:12])[O-:13])[cH:9][n:10]2.[F:14][c:15]1[cH:16][c:17]([CH:21]2[NH:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:18][cH:19][cH:20]1.[OH2:41]>>[c:2]1([N:22]2[CH:21]([c:17]3[cH:16][c:15]([F:14])[cH:20][cH:19][cH:18]3)[CH2:26][CH2:25][CH2:24][CH2:23]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([N+:11](=[O:12])[O-:13])[cH:9][n:10]2