HRID288122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID71027

3,3-Diphenylacrylaldehyde

C15H12O

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID2733995

4-(Piperazin-1-yl)benzonitrile

C11H13N3

PRODUCTS

生成物

结构：N#Cc1ccc(N2CCN(CC=C(c3ccccc3)c3ccccc3)CC2)cc1

HCID59186611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a4e0de21a6f45c5b9fb359b39c84e76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:41]([BH3-:42])#[N:43].[CH3:47][OH:48].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:44][CH2:45][Cl:46].[ClH:1].[N:2]1([c:8]2[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[c:16]1([C:22](=[CH:23][CH:24]=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[N:2]1([c:8]2[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[CH2:3][CH2:4][N:5]([CH2:24][CH:23]=[C:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:6][CH2:7]1