HRID191872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID69873

4-Phenylpiperidine

C11H15N

HCID2724942

未命名化合物

HCID18364719

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(c3ccsc3)C2)cc1

HCID9953731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8b3a337b6064104a09c05c4e8c878a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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