HRID2327505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2724436

4-(Bis(4-fluorophenyl)methylene)piperidine

C18H17F2N

HCID21471856

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2c(sc(C)c2CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1

HCID21471767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-887b6fedc8fe4310af7f4868d7b18501
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][Cl:16])[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1.[F:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[C:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:22][cH:23]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][N:28]3[CH2:27][CH2:26][C:25](=[C:24]([c:21]4[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]4)[c:31]4[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]4)[CH2:30][CH2:29]3)[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1