HRID294930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID594590

1H-Indole, 4-(1-piperazinyl)-

C12H15N3

HCID2724942

未命名化合物

HCID22482105

未命名化合物

PRODUCTS

产物

HCID22482108

1-(4-1H-indolyl)-4-[3,3-bis-(2-pyridyl)propyl]piperazine

C25H27N5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb4e3d228f6c4934bfdd2762346cff5f
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:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:32][C:33](=[O:34])[OH:35].[Cl:57][CH2:58][CH2:59][Cl:60].[Na+:49].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:50].[n:1]1[c:2]([CH:7]([CH2:8][CH:9]=[O:10])[c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][cH:4][cH:5][cH:6]1.[nH:17]1[cH:18][cH:19][c:20]2[c:21]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:22][cH:23][cH:24][c:25]12>>[n:1]1[c:2]([CH:7]([CH2:8][CH2:9][N:29]2[CH2:28][CH2:27][N:26]([c:21]3[c:20]4[cH:19][cH:18][nH:17][c:25]4[cH:24][cH:23][cH:22]3)[CH2:31][CH2:30]2)[c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][cH:4][cH:5][cH:6]1