HRID1202945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID700

Ethanolamine

C2H7NO

HCID79030

(+/-)-Leucinol

C6H15NO

HCID145621

2-Methyl-4-nitrophenyl isothiocyanate

C8H6N2O2S

HCID410817

O-Methyl-DL-leucine

C7H15NO2

HCID18316170

未命名化合物

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])ccc1N=C1SCC(CC(C)C)N1CC(C)C

HCID9819773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4570ee2faf614703951ee912064bb4de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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