HRID96268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID23111691

4'-Hydroxy-2',6'-dimethyl[1,1'-biphenyl]-3-carbaldehyde

C15H14O2

HCID23157234

Ethyl 3-(4-amino-2-fluorophenyl)propanoate

C11H14FNO2

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(NCc2cccc(-c3c(C)cc(O)cc3C)c2)cc1F

HCID23157575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0fd5f953fb445659cc3f1b54622cc2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][CH2:53][Cl:54].[NH2:18][c:19]1[cH:20][c:21]([F:32])[c:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:23][cH:24]1.[Na+:50].[OH:1][c:2]1[cH:3][c:4]([CH3:17])[c:5](-[c:9]2[cH:10][c:11]([CH:15]=[O:16])[cH:12][cH:13][cH:14]2)[c:6]([CH3:8])[cH:7]1>>[OH:1][c:2]1[cH:3][c:4]([CH3:17])[c:5](-[c:9]2[cH:10][c:11]([CH2:15][NH:18][c:19]3[cH:20][c:21]([F:32])[c:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:23][cH:24]3)[cH:12][cH:13][cH:14]2)[c:6]([CH3:8])[cH:7]1