HRID166013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

结构：O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl

HCID58394774

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67344027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0de702fdaf1d40d4a10b869af266a361
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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