HRID1538421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID7961

Bromobenzene

C6H5Br

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID104727

Aluminum Cation

Al+3

结构：CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1

HCID21997555

tert-Butyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

C16H22ClNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(Br)cc2)CC1

HCID57691398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4f62d4b90364100bd2c7afd39408310
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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