HRID2124980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

HCID57690616

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(c2cccc(C(=O)c3cc(Br)cnc3N)n2)CC1

HCID57690601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f8f246fced7425980572a9b7b619566
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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