HRID91125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11736340

4-[3-(trifluoromethyl)phenyl]piperidine

C12H14F3N

结构：COc1ccc(C(=O)N2c3ccccc3C(n3c4ccccc4c4ccccc43)CC2CCCCCO)cc1OC

HCID22339233

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2c3ccccc3C(n3c4ccccc4c4ccccc43)CC2CCCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OC

HCID22339347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d314f9ce69640cf8cc591aae9146d7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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