HRID1142294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57415824

1-(5-Fluoropyridin-2-yl)ethan-1-amine

C7H9FN2

结构：CCOc1cc(Nc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1

HCID178466919

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ccc2[N+](=O)[O-])n[nH]1

HCID178466920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-803bc41b9c01407983e776da15644b16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH2:15][CH3:16])[cH:13]2)[n:7]1.[ClH:20].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH3:29])[NH2:30])[n:26][cH:27]1>>[c:2]1([NH:30][CH:28]([c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][n:26]2)[CH3:29])[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH2:15][CH3:16])[cH:13]2)[n:7]1