HRID108687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1268166

1-(2-chloro-4-fluorophenyl)cyclohexanecarboxylic acid

C13H14ClFO2

HCID16757470

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(F)cc4Cl)CCCCC3)CC2)c1

HCID21957270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97ec6536358a44c2a5addaf504f00dfb
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

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