HRID1121829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

HCID134772

1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutan-1-amine

C15H22ClN

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1

HCID25050583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d72a20456bf4b258cea9667f7826ade
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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