HRID2325249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756555

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C11H17BN2O2

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(N)nc4)nc(N4CCOCC4)c3s2)CC1

HCID58233917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd0919c6a35943febd5cb72111ff8c60
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

[CH3:1][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([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([c:40]2[cH:41][cH:42][c:43]([NH2:46])[n:44][cH:45]2)[O:47]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:40]4[cH:41][cH:42][c:43]([NH2:46])[n:44][cH:45]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]