HRID166927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8079

Cyclohexene

C6H10

HCID31275

1,4-Dioxane

C4H8O2

结构：O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc([N+](=O)[O-])cc1N(C(=O)C(F)(F)F)C1CCOCC1

HCID86647627

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N(C(=O)C(F)(F)F)C2CCOCC2)c1

HCID86647628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca5a810a1bc4bfc929be64cb3a524e6
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

[CH2:44]1[CH2:45][CH:46]=[CH:47][CH2:48][CH2:49]1.[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:15][C:16]([c:17]4[c:18]([N:26]([C:27]([C:28]([F:29])([F:30])[F:31])=[O:32])[CH:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[cH:19][c:20]([N+:23]([O-:24])=[O:25])[cH:21][cH:22]4)=[O:39])[n:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:40][c:41]([F:43])[cH:42]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:15][C:16]([c:17]4[c:18]([N:26]([C:27]([C:28]([F:29])([F:30])[F:31])=[O:32])[CH:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[cH:19][c:20]([NH2:23])[cH:21][cH:22]4)=[O:39])[n:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:40][c:41]([F:43])[cH:42]1