HRID2159617

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-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OCC4C(C)C(=O)[O-])c2)c(C)c(C)c1OCCCS(C)(=O)=O

HCID178423743

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O

HCID76528574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edca22229ba94be5aab1dd2f9b27588f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:40])[c:25]([CH3:39])[c:26]([O:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[c:27]([CH3:30])[c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2.[CH3:41][OH:42].[ClH:45].[Na+:44].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:43].[OH2:46]>>[CH2:2]([C:3](=[O:4])[OH:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:40])[c:25]([CH3:39])[c:26]([O:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[c:27]([CH3:30])[c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2