查数据/反应详情

HRID144775

反应详情

EQUATION

反应方程式

HRID 144775 的结构方程式

REACTANTS

反应物

2

结构：NCCO

Ethanolamine

C2H7NO

结构：CCCCCCCCCCCCCCCCCC(=O)OC

Methyl stearate

C19H38O2

PRODUCTS

生成物

2

结构：NCCO

Ethanolamine

C2H7NO

结构：CCCCCCCCCCCCCCCCCC(=O)O

Octadecanoic acid

C18H36O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48b0b23703524f4b9ada3a3f9a773d4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][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][CH3:20])=[O:21].[NH2:22][CH2:23][CH2:24][OH:25]>>[NH2:22][CH2:23][CH2:24][OH:25].[O:2]=[C:3]([CH2:4][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][CH3:20])[OH:21]

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