HRID1150194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8019

2-Methoxyethanol

C3H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Nc1nc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c(n1)C1CCCCC1CC2

HCID87580250

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3c2CCC2CCCCC32)CC1

HCID68803097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7581ffd11e54579859646f389de4444
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:51][O:52][CH2:53][CH2:54][OH:55].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[N+:1]([c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][c:14]2[n:15][c:16]([NH2:28])[n:17][c:18]3[c:23]2[CH2:22][CH2:21][CH:20]2[CH:19]3[CH2:27][CH2:26][CH2:25][CH2:24]2)(=[O:8])=[O:9])[cH:10][cH:11]1)([O-:12])=[O:13].[N:29]1([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1>>[c:14]1([N:32]2[CH2:31][CH2:30][N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:34][CH2:33]2)[n:15][c:16]([NH2:28])[n:17][c:18]2[c:23]1[CH2:22][CH2:21][CH:20]1[CH:19]2[CH2:27][CH2:26][CH2:25][CH2:24]1