HRID702752

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

HCID8471

Triethylamine

C6H15N

HCID18672517

未命名化合物

HCID18672521

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCc1ccc(NC(=O)N(CC(O)c2cccc(Cl)c2Cl)C2CCC2)cc1

HCID10184984

N-[[4-[[[Cyclobutyl[2-(2,3-dichlorophenyl)-2-hydroxyethyl]amino]carbonyl]amino]phenyl]methyl]-2,2-dimethylpropanamide

C25H31Cl2N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aa829a44537401c900cdfc9afd81ed3
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

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