HRID1130878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID31374

Dimethylacetamide

C4H9NO

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CN(CC1CCC(COCC=CCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID69638461

未命名化合物

PRODUCTS

生成物

结构：CN(CC1CCC(COCC=CCN2CCNCC2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID69638265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e437e782ff5a43fdaefaf65303ce4f90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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