HRID1123661

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

HCID7259

2,5-Dimethylaniline

C8H11N

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C)c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID66591596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-144300dac1cc42d6b3ea9924dd54035d
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: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:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:42](=[O:43])([OH:44])[O-:45].[CH3:15][c:16]1[cH:17][cH:18][c:19]([CH3:20])[c:21]([NH2:22])[cH:23]1.[CH3:24][C:25](=[O:26])[OH:27].[Cl:47][CH2:48][CH2:49][Cl:50].[Na+:41].[Na+:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:22][c:21]2[c:19]([CH3:20])[cH:18][cH:17][c:16]([CH3:15])[cH:23]2)[CH2:12][CH2:13]1