HRID1204552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

反应SMILES：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN

HCID59135127

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(Br)cn1

HCID67087228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d241a24b5bd440d2bfb9f911cf553692
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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