HRID1542621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9559

Tetrapropylammonium

C12H28N+

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：CC(C)(C)c1ccc(N2CCN(c3ccc(CO)cc3)C2=O)cc1

HCID59456885

未命名化合物

PRODUCTS

生成物

HCID59456818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-787b58d6c9874dd28194eef46d122822
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

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