HRID205881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID2735311

3-cyclopropyl-1-methyl-1H-pyrazol-5-amine

C7H11N3

结构：C=C(C)OC(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)cc1F

HCID66729122

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C5CC5)nn4C)c(F)c3)ccn2)cn1

HCID66728938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76c991cada7a4f66b1682d8b58647878
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:38]1[CH2:39][CH2:40][C:41]2=[N:46][CH2:45][CH2:44][CH2:43][N:42]2[CH2:47][CH2:48]1.[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([NH2:9])[cH:8]2)[CH2:2][CH2:3]1.[F:11][c:12]1[c:13]([NH:31][C:32]([O:33][C:35]([CH3:36])=[CH2:37])=[O:34])[cH:14][cH:15][c:16]([O:18][c:19]2[cH:20][c:21](-[c:25]3[cH:26][n:27][n:28]([CH3:30])[cH:29]3)[n:22][cH:23][cH:24]2)[cH:17]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([NH:9][C:32]([NH:31][c:13]3[c:12]([F:11])[cH:17][c:16]([O:18][c:19]4[cH:20][c:21](-[c:25]5[cH:26][n:27][n:28]([CH3:30])[cH:29]5)[n:22][cH:23][cH:24]4)[cH:15][cH:14]3)=[O:33])[cH:8]2)[CH2:2][CH2:3]1