HRID149142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11552

3-Methylbutanal

C5H10O

HCID31374

Dimethylacetamide

C4H9NO

结构：Nn1c(=O)c(C2=NS(=O)(=O)c3cc(OCc4ccccc4)ccc3N2)c(O)c2ccccc21

HCID136358484

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC=Nn1c(=O)c(C2=NS(=O)(=O)c3cc(OCc4ccccc4)ccc3N2)c(O)c2ccccc21

HCID136591915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af30c9b1a69142d4ad3ef283fb8bbc3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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