HRID117447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID887

Methanol

CH4O

结构：Cn1c(=O)c(CN(C(=O)C2CCCCC2)C2(C)CCN(Cc3ccccc3)C2)cc2ccccc21

HCID58415932

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(CN(C(=O)C2CCCCC2)C2(C)CCNC2)cc2ccccc21

HCID58415934

N-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(3-methylpyrrolidin-3-yl)cyclohexanecarboxamide

C23H31N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff6896c714a741acb71b43b6d6d96e12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([CH3:13])([N:14]([C:15](=[O:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][c:24]2[c:25](=[O:35])[n:26]([CH3:34])[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[cH:33]2)[CH2:11][CH2:12]1.[CH3:40][OH:41].[CH:36]([O-:37])=[O:38].[NH4+:39]>>[NH:8]1[CH2:9][C:10]([CH3:13])([N:14]([C:15](=[O:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][c:24]2[c:25](=[O:35])[n:26]([CH3:34])[c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[cH:33]2)[CH2:11][CH2:12]1