HRID135579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

HCID545828

4-(3,4-Dimethoxyphenyl)piperidine

C13H19NO2

HCID16686348

未命名化合物

HCID18986519

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCN(CCC3CCCOc4ccc(C#N)cc43)CC2)cc1OC

HCID18986523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c37b33334c1b42c9b36ea008a20fc75c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:16]1)[CH:8]([CH2:13][CH2:14][Br:15])[CH2:9][CH2:10][CH2:11][O:12]2.[CH2:18]([Al+:19][CH2:20][CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26].[CH3:28][O:29][c:30]1[cH:31][c:32]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:33][cH:34][c:35]1[O:36][CH3:37].[CH3:50][C:51]([CH2:52][CH3:53])=[O:54].[ClH:27].[H-:17].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:16]1)[CH:8]([CH2:13][CH2:14][N:41]1[CH2:40][CH2:39][CH:38]([c:32]3[cH:31][c:30]([O:29][CH3:28])[c:35]([O:36][CH3:37])[cH:34][cH:33]3)[CH2:43][CH2:42]1)[CH2:9][CH2:10][CH2:11][O:12]2