HRID1222196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1CO

HCID23590011

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1COC

HCID58979059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-152e896c70024418a1cd933740deede2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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