HRID1543449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID7853

Allylamine

C3H7N

HCID57732703

未命名化合物

PRODUCTS

产物

HCID57732834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f0055fb8edb04ac29daacf67aadf3042
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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