HRID107375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID86803

1-(3-Phenyl-2-propen-1-yl)piperazine

C13H18N2

HCID22379151

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCN(CC=Cc2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1

HCID85451320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e60eaa83f4d549f9b6da5af362b3e783
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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