HRID2151331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID79488

Cyclohexanone, 4-(1-methylethyl)-

C9H16O

结构：CCn1nc(NCC(=O)NC2CNC2)c2cc(C(F)(F)F)ccc21

HCID58548821

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(NCC(=O)NC2CN(C3CCC(C(C)C)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID54755561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e736e8034aed47e89fd76118ce42a018
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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