HRID683820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13843003

4-(3-Fluorophenyl)piperidine

C11H14FN

结构：CC1CN(Cc2ccc(N(C)C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430361

未命名化合物

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1

HCID178482156

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)N3CCC(c4cccc(F)c4)CC3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-281aa3d9d99b49e188b581c702c58a45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][CH:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][c:9]([NH:10][CH3:11])[cH:12][cH:13]2)[CH2:14][CH2:15][N:16]1[C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[F:24][c:25]1[cH:26][c:27]([CH:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:28][cH:29][cH:30]1.[F:37][c:38]1[cH:39][cH:40][c:41]([CH:42]2[CH2:43][CH2:44][N:45]([C:50](=[O:51])[N:52]([c:53]3[cH:54][cH:55][c:56]([CH2:59][N:60]4[CH2:61][CH:62]([CH3:73])[N:63]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:64][CH2:65]4)[cH:57][cH:58]3)[CH3:74])[CH2:46][CH2:47]2)[cH:48][cH:49]1>>[F:24][c:25]1[cH:26][c:27]([CH:31]2[CH2:32][CH2:33][N:34]([C:50](=[O:51])[N:52]([c:53]3[cH:54][cH:55][c:56]([CH2:59][N:60]4[CH2:61][CH:62]([CH3:73])[N:63]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:64][CH2:65]4)[cH:57][cH:58]3)[CH3:74])[CH2:35][CH2:36]2)[cH:28][cH:29][cH:30]1