HRID685757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1)N(CC)CC

HCID18625914

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O

HCID18625992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83d02001096e49ce8e7365aff50f1e52
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

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