HRID87117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID736136

1-(4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID

C13H15FO2

结构：CC(C)C(=O)Nc1ccc(F)c(C2CCN(CCCN)CC2)c1

HCID21957238

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1ccc(F)c(C2CCN(CCCNC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)c1

HCID21957161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccaa05c430904951b96143015d46fc8a
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:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:15])[OH:16])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[NH2:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][c:29]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:30][cH:31][c:32]2[F:33])[CH2:25][CH2:26]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:16])[NH:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([c:27]4[cH:28][c:29]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:30][cH:31][c:32]4[F:33])[CH2:25][CH2:26]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1