HRID693111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID4072356

2-Ethylhexanoate

C8H15O2-

HCID178456550

未命名化合物

HCID178493944

未命名化合物

PRODUCTS

生成物

结构：C=CCN1C(=O)C(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)(C)C)COc2ccccc21

HCID178456556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b07a4d1424042d4a3d0bbf0833fa14d
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

[CH2:19]([CH:20]=[CH2:21])[N:22]1[C:23](=[O:34])[CH:24]([NH2:33])[CH2:25][O:26][c:27]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2.[CH2:35]([CH:36]([CH2:37][CH2:38][CH2:39][CH3:40])[C:41]([O-:42])=[O:43])[CH3:44].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[ClH:18].[Na+:45].[OH:1][CH:2]1[CH:3]([O:16][CH3:17])[C:4](=[O:15])[O:5][CH:6]1[CH:7]([CH:8]=[CH:9][C:10]([CH3:11])([CH3:12])[CH3:13])[OH:14]>>[OH:1][CH:2]([CH:3]([C:4](=[O:15])[NH:33][CH:24]1[C:23](=[O:34])[N:22]([CH2:19][CH:20]=[CH2:21])[c:28]2[c:27]([cH:32][cH:31][cH:30][cH:29]2)[O:26][CH2:25]1)[O:16][CH3:17])[CH:6]([OH:5])[CH:7]([CH:8]=[CH:9][C:10]([CH3:11])([CH3:12])[CH3:13])[OH:14]