HRID2137839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID78935

1-Benzoylpiperidine-4-carboxylic acid

C13H15NO3

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1c1ccc(Cl)c(Cl)c1

HCID87626346

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1c1ccc(Cl)c(Cl)c1

HCID178485445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcd98b76e85a4845aeacd682da3b7be1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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