HRID686076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15345547

未命名化合物

HCID15391668

未命名化合物

HCID53773595

Ethyl 6-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethyl]nicotinate

C22H25NO3

PRODUCTS

产物

HCID18314581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0c291f31b1547f693e95f08d9629765
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][c:6]([C:7]#[C:8][c:9]3[cH:10][cH:11][c:12]([C:13]([OH:14])=[O:15])[cH:16][cH:17]3)[cH:18][cH:19][c:20]2[C:21](=[O:22])[CH2:23][CH2:24]1.[CH3:25][C:26]1([CH3:50])[CH2:27][CH2:28][C:29](=[O:49])[c:30]2[cH:31][c:32]([C:36]#[C:37][c:38]3[n:39][cH:40][c:41]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:47][cH:48]3)[cH:33][cH:34][c:35]21.[CH3:51][C:52]1([CH3:53])[c:54]2[cH:55][cH:56][c:57]([CH2:58][CH2:59][c:60]3[cH:61][cH:62][c:63]([C:64]([O:65][CH2:66][CH3:67])=[O:68])[cH:69][n:70]3)[cH:71][c:72]2[C:73](=[O:74])[CH2:75][CH2:76]1>>[CH3:25][C:26]1([CH3:50])[CH2:27][CH2:28][C:29](=[O:49])[c:30]2[cH:31][c:32]([C:36]#[C:37][c:38]3[n:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:47][cH:48]3)[cH:33][cH:34][c:35]21