HRID1536731

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：COC(F)(c1ccc2c(c1)c(NCC(=O)NC1CNC1)nn2C)C(F)(F)F

HCID67478704

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(OC)C(F)(F)F)cc45)C3)CC2)cn1

HCID67478901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b4bd84f6ca749f299001168cd577e62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH3:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([C:19]([F:20])([F:21])[F:22])([O:23][CH3:24])[F:25])[cH:16][c:17]23)=[O:27])[CH2:4]1.[OH:28][C:29]1([c:36]2[cH:37][n:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[CH2:30][CH2:31][C:32](=[O:35])[CH2:33][CH2:34]1>>[N:1]1([CH:32]2[CH2:31][CH2:30][C:29]([OH:28])([c:36]3[cH:37][n:38][c:39]([O:42][CH3:43])[cH:40][cH:41]3)[CH2:34][CH2:33]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH3:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([C:19]([F:20])([F:21])[F:22])([O:23][CH3:24])[F:25])[cH:16][c:17]23)=[O:27])[CH2:4]1