HRID689251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3126

2-Aminooctadecane-1,3-diol

C18H39NO2

HCID5281

Octadecanoic acid

C18H36O2

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC

HCID4255985

2-octadecanoylaminooctadecane-1,3-diol

C36H73NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb300591911441f6a1b455e6838b1e10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][CH2:2][CH2:3][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][C:18]([OH:19])=[O:20].[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH:36]([OH:37])[CH:38]([NH2:39])[CH2:40][OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54]>>[CH3:1][CH2:2][CH2:3][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][C:18](=[O:19])[NH:39][CH:38]([CH:36]([CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH3:21])[OH:37])[CH2:40][OH:41]