HRID2316029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID81531

Diisopropylethylamine

C8H19N

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

HCID10419793

4-AMINO-2-FLUORO-5-NITROBENZONITRILE

C7H4FN3O2

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(N)c([N+](=O)[O-])cc1C#N

HCID22273011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4043924c6ae46668d875a1bf8968a3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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