HRID1130331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1

HCID57709089

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(CC(=O)O)cc2)c(C)c1

HCID57708918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d515cef0646049b6a5d8bbb75d9fa187
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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