HRID1233597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16414215

N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C12H20BN3O2

结构：Cc1nc(-c2cn3c(n2)-c2ccc(Br)cc2OCC3)n(C(C)C)n1

HCID58204322

9-Bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

C17H18BrN5O

PRODUCTS

生成物

结构：Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnc(N(C)C)nc4)cc2OCC3)n(C(C)C)n1

HCID51348056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d54b16ce850485193d5aa285d189793
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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