HRID1139110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID70517

1-(4-Pyridyl)piperazine

C9H13N3

HCID18918561

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Oc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

HCID18918633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e548d561ebf04d409c726dd481e9fdf9
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][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])[cH:17][cH:18]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[n:19]1[cH:20][cH:21][c:22]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:23][cH:24]1>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])[cH:17][cH:18]1)[N:28]1[CH2:27][CH2:26][N:25]([c:22]2[cH:21][cH:20][n:19][cH:24][cH:23]2)[CH2:30][CH2:29]1