HRID2152243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID18399610

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

C13H19F3N4

HCID68582896

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1

HCID11237664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7b20ddf0a0f428caced016bc50c24e6
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

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