HRID285447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID21888504

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

产物

反应SMILES：CCCC(C(O)C#N)N(Cc1ccccc1)Cc1ccccc1

HCID74956237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d2d371589ea455d878f5a2024e07708
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([CH:10]=[O:11])[CH2:12][CH2:13][CH3:14])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][OH:37].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[Na+:26].[Na:27][C:28]#[N:29].[OH2:38].[S:22](=[O:23])([OH:24])[O-:25]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([CH:10]([OH:11])[C:28]#[N:29])[CH2:12][CH2:13][CH3:14])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1