HRID204606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90097

Methyl 2-bromo-2-methylpropionate

C5H9BrO2

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)n(C)c2n1

HCID59605281

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C(C)(C)C(=O)OC)C3)n(C)c2n1

HCID59605445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-886bc877eeaf4165afaa2313a3990f9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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