HRID1220736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(C(=O)O)C1

HCID22116100

1-(tert-Butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid

C17H23NO4

结构：Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2c2ccccc2)CC1

HCID77545633

未命名化合物

PRODUCTS

生成物

HCID693767

N-(5-Chloro-2-methylphenyl)piperazine

C11H15ClN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a19945255f6d4bf0964ce7ea82c2e7be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH:14]([C:15]([OH:16])=[O:17])[CH2:18]1)=[O:19])([CH3:20])([CH3:21])[CH3:22].[C:23]([O:24][C:25]([N:26]1[CH2:27][CH2:28][CH:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH:36]([C:37](=[O:38])[N:44]2[CH2:45][CH2:46][N:47]([c:50]3[c:51]([CH3:57])[cH:52][cH:53][c:54]([Cl:56])[cH:55]3)[CH2:48][CH2:49]2)[CH2:39]1)=[O:40])([CH3:41])([CH3:42])[CH3:43]>>[NH:44]1[CH2:45][CH2:46][N:47]([c:50]2[c:51]([CH3:57])[cH:52][cH:53][c:54]([Cl:56])[cH:55]2)[CH2:48][CH2:49]1