HRID2328481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10975431

未命名化合物

PRODUCTS

生成物

结构：CCN(CC#CC=CC(C)(C)C)CCOCCOc1cccc(-c2ccsc2)c1

HCID54106245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5eb5513332412a8ada8ac7038a9815
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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