HRID2160828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89101

1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone

C10H9F3O

结构：CCCC(N)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1

HCID67164226

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(C)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1

HCID11677624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f0d7755a12f42219a5680601a8da877
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

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