HRID150758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID12513746

2-Chloro-3-(methanesulfonyl)pyridine

C6H6ClNO2S

结构：CSc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCNC2

HCID59021576

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1S(C)(=O)=O)C2

HCID59021572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-effc8a7686e845dcab367a4642240a85
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

[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:24][c:25]1[n:26][cH:27][cH:28][cH:29][c:30]1[S:31](=[O:32])(=[O:33])[CH3:34].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[c:11]3[c:12]([n:13][c:14]([S:16][CH3:17])[n:15]2)[CH2:18][NH:19][CH2:20][CH2:21]3)[cH:7][cH:8]1)([F:22])[F:23].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][c:10]2[c:11]3[c:12]([n:13][c:14]([S:16][CH3:17])[n:15]2)[CH2:18][N:19]([c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[S:31](=[O:32])(=[O:33])[CH3:34])[CH2:20][CH2:21]3)[cH:7][cH:8]1)([F:22])[F:23]