HRID698661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID19660

Carbonate

CO3-2

HCID15512811

tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate

C11H20BrNO2

HCID178450369

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nc(N)c2nc(OC)n(CC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

HCID58306091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daf34bcb5b344f989fa149592e3ae6d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:46].[Br:31][CH2:32][CH:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1.[C:1](=[O:2])([O-:3])[O-:4].[CH2:14]([CH2:15][CH2:16][CH3:17])[O:18][c:19]1[n:20][c:21]([NH2:30])[c:22]2[n:23][c:24]([O:28][CH3:29])[nH:25][c:26]2[n:27]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:7][C:8]([F:9])([F:10])[C:11]([OH:12])=[O:13].[K+:5].[K+:6].[OH2:52]>>[CH2:14]([CH2:15][CH2:16][CH3:17])[O:18][c:19]1[n:20][c:21]([NH2:30])[c:22]2[n:23][c:24]([O:28][CH3:29])[n:25]([CH2:32][CH:33]3[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]3)[c:26]2[n:27]1