HRID99940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

结构：NC(=O)c1cc(-c2cccc(C=O)c2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12

HCID59332669

未命名化合物

PRODUCTS

生成物

结构：CNCc1cccc(-c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)c1

HCID59332768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a3daed413b44c9b4aaa6c9768c05fa
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

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