HRID1555318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11029884

2,2-dimethyl-1,3-dioxan-5-ol

C6H12O3

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1O

HCID136375878

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC1COC(C)(C)OC1

HCID68578103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e224f72e7204644b27547c7e55a979d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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