HRID314383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

结构：CS(=O)(=O)OCCc1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F

HCID59520461

未命名化合物

PRODUCTS

生成物

结构：CNCCc1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F

HCID59520466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf757efde76a4ec29d34e4cab4f76e35
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

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