HRID318081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID4072356

2-Ethylhexanoate

C8H15O2-

HCID4259649

3-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C15H13N3O

HCID178493944

未命名化合物

PRODUCTS

生成物

结构：COC(C(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O)C(O)C(O)C(O)C=CC(C)(C)C

HCID178496435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccf9aac219f843e58530b5293b9689cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:37]([CH:38]([CH2:39][CH2:40][CH2:41][CH3:42])[C:43]([O-:44])=[O:45])[CH3:46].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[Cl:48][CH2:49][Cl:50].[NH2:18][CH:19]1[C:20](=[O:36])[NH:21][c:22]2[c:23]([cH:32][cH:33][cH:34][cH:35]2)[C:24]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[N:25]1.[Na+:47].[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:18][CH:19]1[C:20](=[O:36])[NH:21][c:22]2[c:23]([cH:32][cH:33][cH:34][cH:35]2)[C:24]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[N: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]