HRID696404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12440702

4-[4-(Trifluoromethyl)phenyl]piperidine

C12H14F3N

结构：O=CC1CN(C(=O)c2cccc3ccccc23)CC1c1ccsc1

HCID20694383

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc2ccccc12)N1CC(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccsc2)C1

HCID18364867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a78ea10085746e1a1fa39c206dda3b5
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

[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1)([F:39])[F:40].[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH:23]=[O:24])[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH2:23][N:36]3[CH2:35][CH2:34][CH:33]([c:30]4[cH:29][cH:28][c:27]([C:26]([F:25])([F:39])[F:40])[cH:32][cH:31]4)[CH2:38][CH2:37]3)[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12