HRID174503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2779250

5-Fluoro-2-nitroanisole

C7H6FNO3

HCID44118797

tert-Butyl 2-(propan-2-yl)piperazine-1-carboxylate

C12H24N2O2

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)OC(C)(C)C)C(C(C)C)C2)ccc1[N+](=O)[O-]

HCID178493026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1aac12750d1143c0a30eae1238f4804d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:19][S:20]([CH3:21])=[O:22].[CH3:1][O:2][c:3]1[c:4]([N+:10](=[O:11])[O-:12])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[CH3:23][CH:24]([CH3:25])[CH:26]1[N:27]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:28][CH2:29][NH:30][CH2:31]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[K+:13].[K+:14].[O-:15][C:16]([O-:17])=[O:18].[OH2:50]>>[CH3:1][O:2][c:3]1[c:4]([N+:10](=[O:11])[O-:12])[cH:5][cH:6][c:7]([N:30]2[CH2:29][CH2:28][N:27]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH:26]([CH:24]([CH3:23])[CH3:25])[CH2:31]2)[cH:8]1