HRID199516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6416

3,3-Dimethyl-2-butanone

C6H12O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

HCID15521394

未命名化合物

PRODUCTS

生成物

HCID15521396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcdf3a0f2ded49a8a08bffa22194af64
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

[CH3:1][c:2]1[cH:3][c:4]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:35])[c:24]([O:27][CH2:28][C:29]([C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:25][cH:26]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15].[CH3:38][C:39](=[O:40])[C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[H-:37].[Na+:36].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][c:2]1[cH:3][c:4]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:35])[c:24]([O:27][CH2:28][CH:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[OH:34])[cH:25][cH:26]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15]