HRID1114089

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：CC(C)Oc1cc(Nc2nc(Cl)c([N+](=O)[O-])cc2Cl)n[nH]1

HCID178458612

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cc3)c([N+](=O)[O-])cc2Cl)n[nH]1

HCID178458623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb0dd4e2617944d9826a83068f23e69d
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

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