HRID206930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2735311

3-cyclopropyl-1-methyl-1H-pyrazol-5-amine

C7H11N3

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：Cn1nc(C2CC2)cc1NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1

HCID86583736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84e9ca19cbe74f5f951fcccb0a42f500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][C:50]#[N:51].[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].[NH2:39][c:40]1[cH:41][c:42]([CH:46]2[CH2:47][CH2:48]2)[n:43][n:44]1[CH3:45]>>[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:39][c:40]2[cH:41][c:42]([CH:46]3[CH2:47][CH2:48]3)[n:43][n:44]2[CH3:45])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]