HRID108256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11731

1,2-Dimethylpropylamine

C5H13N

结构：CSC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1

HCID86583731

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C)NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1

HCID173266558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cdec7ea6d5b40acaa44800dc9b73359
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:32][CH:33]([CH:34]([CH3:35])[CH3:36])[NH2:37].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[C:15]([C:16]#[N:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[S:28][CH3:29])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[C:15]([C:16]#[N:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[NH:37][CH:33]([CH3:32])[CH:34]([CH3:35])[CH3:36])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]