HRID2342308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16414272

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO2

结构：CNC(=O)C(C)(C)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID57493995

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(C)(C)N1CCN(Cc2cc3nc(-c4ccc(C)nc4)nc(N4CCOCC4)c3s2)CC1

HCID58234078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adea3720655c4cb9a5cbb5760f7babd0
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

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