HRID186415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1cc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)ccc1O

HCID10316363

未命名化合物

HCID23635226

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

C8H8N4O

PRODUCTS

生成物

结构：Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(O)c(C(C)(C)C)c4)(C4CCCC4)OC3=O)nc2n1

HCID58762294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27ec10fd9e5a41f5a29e74f4d7fcd6f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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