HRID100132

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

HCID84468

Trifluoroacetate

C2F3O2-

HCID23000675

Benzyl 3-(bromomethyl)piperidine-1-carboxylate

C14H18BrNO2

HCID178450369

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nc(N)c2nc(OC)n(CC3CCCN(C(=O)OCc4ccccc4)C3)c2n1

HCID58306120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-472dfb218c5440229c8a1cb2835b3f5b
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:31][CH2:32][CH:33]1[CH2:34][N:35]([C:39](=[O:40])[O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:36][CH2:37][CH2:38]1.[C:25](=[O:26])([O-:27])[O-:28].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[n:7][c:8]([NH2:17])[c:9]2[n:10][c:11]([O:15][CH3:16])[nH:12][c:13]2[n:14]1.[K+:29].[K+:30].[O-:18][C:19]([C:20]([F:21])([F:22])[F:23])=[O:24].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[n:7][c:8]([NH2:17])[c:9]2[n:10][c:11]([O:15][CH3:16])[n:12]([CH2:32][CH:33]3[CH2:34][N:35]([C:39](=[O:40])[O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH2:36][CH2:37][CH2:38]3)[c:13]2[n:14]1