HRID2141592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID541935

N-Methyl-1-(naphthalen-2-yl)methanamine

C12H13N

HCID59456959

N-Methyl-1-propyl-2-naphthalenemethanamine

C15H19N

反应SMILES：CN1CC(=O)Nc2ncc(C=CC(=O)O)cc2C1

HCID66966201

未命名化合物

HCID66967471

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CN(Cc1ccc2ccccc2c1)C(=O)C=Cc1cnc(N)c(CN2CCCC2)c1

HCID66967556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c4329ce20a0e4ef693fd59b682ab1c16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:21][N:22]1[CH2:23][c:24]2[cH:25][c:26]([CH:27]=[CH:28][C:29]([OH:30])=[O:31])[cH:32][n:33][c:34]2[NH:35][C:36](=[O:37])[CH2:38]1.[CH3:39][NH:40][CH2:41][c:42]1[cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[cH:50][cH:51]1.[CH3:52][NH:53][CH2:54][c:55]1[cH:56][cH:57][c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[c:64]1[CH2:65][CH2:66][CH3:67].[ClH:1].[ClH:20].[NH2:2][c:3]1[c:4]([CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:7][n:8]1>>[ClH:1].[NH2:2][c:3]1[c:4]([CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:13])[N:40]([CH3:39])[CH2:41][c:42]2[cH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]3[cH:50][cH:51]2)[cH:7][n:8]1