HRID123410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID29013

Benzene, 4-bromo-1,2-dichloro-

C6H3BrCl2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID2756808

tert-Butyl 4-methylidenepiperidine-1-carboxylate

C11H19NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1

HCID22257717

1,1-Dimethylethyl 4-[(3,4-dichlorophenyl)methyl]-1-piperidinecarboxylate

C17H23Cl2NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f849c837857345bf922cb15b9cb4a269
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

[Br:24][c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1.[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH2:14])[CH2:12][CH2:13]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:15]12[CH2:16][CH2:17][CH2:18][CH:19]([BH:20]1)[CH2:21][CH2:22][CH2:23]2.[K+:37].[K+:38].[Na+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH-:39].[OH2:46].[OH2:47]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[CH2:12][CH2:13]1