HRID168264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1061

Phosphate

O4P-3

HCID1118

Sulfuric acid

H2O4S

HCID6212

Chloroform

CHCl3

结构：COC(=O)C1C(C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1

HCID392709

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1

HCID13276241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba234e12fb5f45ef90720f171c6bb68a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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