HRID106040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID78870

2-Bromo-4-nitroanisole

C7H6BrNO3

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

PRODUCTS

生成物

结构：COc1ccc([N+](=O)[O-])cc1C1=CCN(C(=O)OC(C)(C)C)CC1

HCID18446884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1a1ee8945be4f3b86f98add8674c8ae
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

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