HRID200819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID52987995

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

C12H15NO3

结构：O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CNC1

HCID58548680

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1

HCID54755921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ac9aa38a9aa48919baf0862fd07840a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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