HRID669307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12992368

未命名化合物

HCID18399610

2-tert-Butyl-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

C13H19F3N4

HCID20469712

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1

HCID44407270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a99ae64fb24a7da1d38bc71b53b0cc
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:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[CH2:29][CH2:30][C:31]1=[O:32].[C:33]([CH3:34])([CH3:35])([CH3:36])[c:37]1[n:38][c:39]([C:49]([F:50])([F:51])[F:52])[cH:40][c:41]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[n:42]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:16])[CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21>>[CH2:2]([CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:16])[CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21)[N:46]1[CH2:45][CH2:44][N:43]([c:41]2[cH:40][c:39]([C:49]([F:50])([F:51])[F:52])[n:38][c:37]([C:33]([CH3:34])([CH3:35])[CH3:36])[n:42]2)[CH2:48][CH2:47]1