HRID1207537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2782154

未命名化合物

HCID4184869

tert-Butyl 4-[(methanesulfonyl)oxy]piperidine-1-carboxylate

C11H21NO5S

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)c(C=O)n2)CC1

HCID86630148

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(C=O)n2)CC1

HCID86630149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1d8f26edfbf4899b4aa0d3b634b760a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:37][c:38]1[cH:39][n:40][nH:41][c:42]1[CH:43]=[O:44].[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][S:52]([O:53][CH:54]1[CH2:55][CH2:56][N:57]([C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[CH2:65][CH2:66]1)(=[O:67])=[O:68].[CH3:69][C:70]#[N:71].[K+:49].[K+:50].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[c:9]([CH:26]=[O:27])[n:10][n:11]([CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[cH:12]2)[cH:6][c:7]1-[c:28]1[o:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36]1>>[c:8]1([Br:37])[c:9]([CH:26]=[O:27])[n:10][n:11]([CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:12]1