HRID1219137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ccccc3CC(=O)OC)cc2)cc1C)CC

HCID67065120

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ccccc3CC(=O)O)cc2)cc1C)CC

HCID67065101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9b264dd66b04d359b12f7c5136b6e9f
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

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