HRID91136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53216772

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

C12H19BN2O2

结构：CC(C)(O)C1CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)CC1

HCID58404970

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nc(N3CCOCC3)c3nc(CN4CCC(C(C)(C)O)CC4)ccc3n2)cnc1N

HCID53378568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e46e6c4059254ae1879aec5fa3210a97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:29][c:30]1[c:31]([NH2:45])[n:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([NH2:45])[c:30]([CH3:29])[cH:35]2)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2