HRID123885

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：FC1CNCCC1Nc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccn2n1

HCID86656725

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(N2CCC(Nc3nc4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)C(F)C2)o1

HCID76775944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a46606a258444b9819334570e68b30c
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

[Br:32][c:33]1[o:34][c:35]([CH3:38])[n:36][n:37]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[c:14]3[n:15]([cH:16][cH:17][cH:18]2)[n:19][c:20]([NH:22][CH:23]2[CH:24]([F:29])[CH2:25][NH:26][CH2:27][CH2:28]2)[n:21]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[c:14]3[n:15]([cH:16][cH:17][cH:18]2)[n:19][c:20]([NH:22][CH:23]2[CH:24]([F:29])[CH2:25][N:26]([c:33]4[o:34][c:35]([CH3:38])[n:36][n:37]4)[CH2:27][CH2:28]2)[n:21]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]