HRID702559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

HCID8899

Laurylethanolamide

C14H29NO2

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

HCID88389

Fenozan

C17H26O3

PRODUCTS

生成物

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

HCID20558487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d1e34c94a134e02bf6a0762d154b1bf
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

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