HRID170696

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

HCID86623512

未命名化合物

PRODUCTS

生成物

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

HCID58233918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e31ee477aca748a38a0adc0073962a3e
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

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