HRID2154069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8078

Cyclohexane

C6H12

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID11229627

6-bromo-1,2-benzisoxazol-3-ol

C7H4BrNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2noc3cc(Br)ccc23)CC1

HCID58656488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89c103e8c16b4911916f8b0cae99d5a5
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

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