HRID2125897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21448166

3-(Piperidin-4-yl)benzonitrile

C12H14N2

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(C#N)c4)CC3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cabe9aee6804439b0b6c58081522367
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

[C:24](#[N:25])[c:26]1[cH:27][c:28]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1.[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:38][c:39]1[cH:40][cH:41][c:42]([CH:43]2[CH2:44][CH2:45][N:46]([C:51](=[O:52])[N:53]([c:54]3[cH:55][cH:56][c:57]([CH2:60][N:61]4[CH2:62][CH:63]([CH3:74])[N:64]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[CH2:65][CH2:66]4)[cH:58][cH:59]3)[CH3:75])[CH2:47][CH2:48]2)[cH:49][cH:50]1>>[C:24](#[N:25])[c:26]1[cH:27][c:28]([CH:32]2[CH2:33][CH2:34][N:35]([C:51](=[O:52])[N:53]([c:54]3[cH:55][cH:56][c:57]([CH2:60][N:61]4[CH2:62][CH:63]([CH3:74])[N:64]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[CH2:65][CH2:66]4)[cH:58][cH:59]3)[CH3:75])[CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1