HRID104058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11116893

1-(2-fluorophenyl)piperidin-4-one

C11H12FNO

HCID22000279

未命名化合物

结构：COc1ccc(N2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1

HCID69398267

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCN(c3ccccc3F)CC2)C1

HCID178521341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a68da6d34520405fbeed8f75a0e6f30d
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

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