HRID2311559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C

HCID45480186

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C13H17BN2O2

反应SMILES：CC(C)(C)CC(=O)Nc1cc2nc(Cl)nc(N3CCOCC3)c2s1

HCID86618392

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)CC(=O)Nc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1

HCID59593120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f4455c7fe5a84035a2730040496a4d1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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