HRID1213845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)CC(C(=O)NC(C(=O)N(C)C(C)C(=O)NC(C)C(=O)OCc1ccccc1)C(C)C)N(C)C(=O)OC(C)(C)C

HCID178445237

未命名化合物

PRODUCTS

生成物

结构：CNC(CC(C)C)C(=O)NC(C(=O)N(C)C(C)C(=O)NC(C)C(=O)OCc1ccccc1)C(C)C

HCID178483452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5b945e703894235a114c166561fd81b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:50](=[O:51])([OH:52])[O-:53].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([N:14]([CH3:15])[C:16]([CH:17]([NH:18][C:19]([CH:20]([N:21]([CH3:22])[C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34])[CH:35]([CH3:36])[CH3:37])=[O:38])[CH3:39])=[O:40])[CH3:41])=[O:42].[Cl:55][CH2:56][Cl:57].[Na+:54].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([N:14]([CH3:15])[C:16]([CH:17]([NH:18][C:19]([CH:20]([NH:21][CH3:22])[CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34])[CH:35]([CH3:36])[CH3:37])=[O:38])[CH3:39])=[O:40])[CH3:41])=[O:42]