HRID118554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57674934

未命名化合物

结构：O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Nc3ncns3)n2)cc1

HCID59450317

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1

HCID25052722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78d2db9b41814072bfd906e276e51b86
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

[CH:30]1([C:33]2([F:37])[CH2:34][NH:35][CH2:36]2)[CH2:31][CH2:32]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:29].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[s:1]1[n:2][cH:3][n:4][c:5]1[NH:6][c:7]1[n:8][c:9]([S:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22]([CH2:23][C:24]([F:25])([F:26])[F:27])=[O:28])[cH:19][cH:20]2)[n:10][c:11]([Cl:13])[cH:12]1>>[s:1]1[n:2][cH:3][n:4][c:5]1[NH:6][c:7]1[n:8][c:9]([S:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22]([CH2:23][C:24]([F:25])([F:26])[F:27])=[O:28])[cH:19][cH:20]2)[n:10][c:11]([N:35]2[CH2:34][C:33]([CH:30]3[CH2:31][CH2:32]3)([F:37])[CH2:36]2)[cH:12]1