HRID2328200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

反应SMILES：CCCCCCCCN1CC(CCC(=O)OC)c2c(C)cc(C)c(NC(=O)C(C)(C)C)c21

HCID15895569

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCCCCN1CC(CCC(=O)O)c2c(C)cc(C)c(NC(=O)C(C)(C)C)c21

HCID15895570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c0e21a71bc648a58109998d3e5d6b55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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