HRID122467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

HCID27902

N-(2-Hydroxyethyl)octadecanamide

C20H41NO2

结构：CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O

HCID88389

Fenozan

C17H26O3

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID20558491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa2f4173dbc42d7b0ef60ad7e455292
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[OH2:52].[OH:21][CH2:22][CH2:23][NH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])=[O:43].[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:22][CH2:23][NH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])=[O:43])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]