HRID1565496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID54428101

1-(3-Phenyl-2-propen-1-yl)-4-piperidinamine

C14H20N2

结构：O=c1cc(OS(=O)(=O)C(F)(F)F)c2cc(Br)ccc2o1

HCID60149196

未命名化合物

PRODUCTS

生成物

结构：O=c1cc(NC2CCN(CC=Cc3ccccc3)CC2)c2cc(Br)ccc2o1

HCID73712352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de57634fd484631b2bfb5cbf795de1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:24][c:25]1[cH:26][c:27]2[c:28]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[cH:29][c:30](=[O:35])[o:31][c:32]2[cH:33][cH:34]1.[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:44][C:45]#[N:46].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1)[c:28]1[c:27]2[cH:26][c:25]([Br:24])[cH:34][cH:33][c:32]2[o:31][c:30](=[O:35])[cH:29]1