HRID2339167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID2761404

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

C10H20N2O2

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)C1CCN(c2nc(N)nc3c2CCC2CCCCC32)C1

HCID178486012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca459996342846dcbdeaa47f12360a97
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

[CH3:29][N:30]([C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH:38]1[CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][OH:52].[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]>>[c:14]1([N:40]2[CH2:39][CH:38]([N:30]([CH3:29])[C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:42][CH2:41]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