HRID1556242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID23635226

5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C8H8N4O

结构：CCc1cc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc(CC)c1O

HCID58762520

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)c1O

HCID58762500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8b70c2089434f1da93aefd9b469e52c
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

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