HRID1561539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1ccc(Nc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1

HCID59374835

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)O)cc2)c(=O)n(C)c1

HCID24857232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4826e1ad26854328b98f3e02f797ac1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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