HRID141769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7514

N-Methylcyclohexanamine

C7H15N

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(OS(=O)(=O)C(F)(F)F)n2)CN(C)CC3)cc1

HCID59333724

未命名化合物

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(N(C)C4CCCCC4)n2)CN(C)CC3)cc1

HCID46200351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81f2b77643fc40b6870988d6eefaa0ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[CH3:41][S:42]([CH3:43])=[O:44].[F:9][C:10]([F:11])([F:12])[S:13]([O:14][c:15]1[c:16]2[c:17]([n:18][c:19]([NH:21][c:22]3[cH:23][cH:24][c:25](-[n:28]4[c:29]([CH3:33])[n:30][cH:31][cH:32]4)[cH:26][cH:27]3)[n:20]1)[CH2:34][CH2:35][N:36]([CH3:38])[CH2:37]2)(=[O:39])=[O:40]>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1)[c:15]1[c:16]2[c:17]([n:18][c:19]([NH:21][c:22]3[cH:23][cH:24][c:25](-[n:28]4[c:29]([CH3:33])[n:30][cH:31][cH:32]4)[cH:26][cH:27]3)[n:20]1)[CH2:34][CH2:35][N:36]([CH3:38])[CH2:37]2