HRID188660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3126

2-Aminooctadecane-1,3-diol

C18H39NO2

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID92836

2-Hydroxyhexadecanoic acid

C16H32O3

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCC

HCID11028085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec8c38c355f14069938a82188b3626d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:20][CH2:21][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][CH:35]([OH:36])[CH:37]([NH2:38])[CH2:39][OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[OH:1][CH:2]([C:3](=[O:4])[OH: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][CH3:19]>>[OH:1][CH:2]([C:3](=[O:5])[NH:38][CH:37]([CH: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][CH2:21][CH3:20])[OH:36])[CH2:39][OH:40])[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][CH3:19]