HRID180028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID80574

2-tert-Butylaniline

C10H15N

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(C)(C)C)CC1

HCID66591624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68543eebfaf944579272e10eb6e103d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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