HRID114728

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：CC(C)Oc1cc(Nc2nc(Cl)ncc2[N+](=O)[O-])n[nH]1

HCID178458615

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2[N+](=O)[O-])n[nH]1

HCID178458628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aa7711a275546f2b6545eca7f31d168
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

[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH:15]([CH3:16])[CH3:17])[cH:13]2)[n:7]1.[ClH:21].[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[n:27][cH:28]1>>[c:2]1([NH:31][CH:29]([c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][n:27]2)[CH3:30])[n:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH:15]([CH3:16])[CH3:17])[cH:13]2)[n:7]1