HRID2317068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID23033645

tert-Butyl azetidin-3-yl(methyl)carbamate

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：CN(C(=O)OC(C)(C)C)C1CN(c2nc(N)nc3c2CCC2CCCCC32)C1

HCID68803345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ab9f9395f14c11b98f832a9ffda3dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][CH2:50][OH:51].[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].[NH:29]1[CH2:30][CH:31]([N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH3:41])[CH2:32]1>>[c:14]1([N:29]2[CH2:30][CH:31]([N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH3:41])[CH2:32]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