HRID825911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID1393689

4'-Chloro[1,1'-biphenyl]-2-carbaldehyde

C13H9ClO

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

HCID22662065

1,1-Dimethylethyl 4-[(4′-chloro[1,1′-biphenyl]-2-yl)methyl]-1-piperazinecarboxylate

C22H27ClN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-932907d721024ed29754562a9fff3fb9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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