HRID1138711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID25219536

2-Bromo-5-methyl-1,3,4-oxadiazole

C3H3BrN2O

结构：Fc1ccc(-c2cccn3nc(NC4CCNCC4(F)F)nc23)c(F)c1F

HCID67343436

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5F)cccn4n3)C(F)(F)C2)o1

HCID58397871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6050afec79d474f9c305ef4486f6ed7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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