HRID2327639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID166653

Hydride

H-

HCID57434506

未命名化合物

HCID58934118

未命名化合物

PRODUCTS

生成物

结构：CCc1oc(-c2cccc(OC)c2)nc1COC1CCCC(COC(C)(C)C(=O)OC(C)(C)C)C1

HCID72472848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-859ce7c3162043aaa4df8728db676fa7
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

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