查数据/反应详情

HRID109641

反应详情

EQUATION

反应方程式

HRID 109641 的结构方程式

REACTANTS

反应物

2

结构：CNC

Dimethylamine

C2H7N

结构：CCCCCCCCCCCCCCCCC(=O)O

Heptadecanoic acid

C17H34O2

PRODUCTS

生成物

1

结构：CCCCCCCCCCCCCCCCCN(C)C

1-Heptadecanamine, N,N-dimethyl-

C19H41N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b39c718fa5e9498db64e43563daf42e6
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

[CH3:1][NH:2][CH3:3].[CH3:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22]>>[CH3:1][N:2]([CH3:3])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH3:4]

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