HRID307930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID52987995

4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexan-1-one

C12H15NO3

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CNC1

HCID59361594

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1

HCID46241509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34b3b77b86f42e0bd36e90a54f445a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:39][CH2:40][Cl:41].[ClH:38].[NH:17]1[CH2:18][CH:19]([NH:21][C:22](=[O:23])[CH2:24][NH:25][C:26]([c:27]2[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)=[O:37])[CH2:20]1.[OH:1][C:2]1([c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[CH2:3][CH2:4][C:5](=[O:8])[CH2:6][CH2:7]1>>[OH:1][C:2]1([c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[CH2:3][CH2:4][CH:5]([N:17]2[CH2:18][CH:19]([NH:21][C:22](=[O:23])[CH2:24][NH:25][C:26]([c:27]3[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)=[O:37])[CH2:20]2)[CH2:6][CH2:7]1