HRID96537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

HCID166653

Hydride

H-

HCID19611832

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C

HCID19611841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00288373d4794598aa4b8b7799bb4833
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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