HRID165362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10219751

[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic Acid

C8H7BN2O3

结构：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1Cl

HCID11015197

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1

HCID11489350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54a2c6eaffa140c080a3170c1bcdd38a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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