HRID687604

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：Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OCC3C(C)C(=O)[O-])c1

HCID178429061

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1

HCID74075712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23f83acf76cf4fa08e0134683647721a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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]([CH3:39])[c:25]([F:38])[c:26]([O:30][CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2.[CH3:40][OH:41].[ClH:44].[Na+:43].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:42].[OH2:45]>>[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]([CH3:39])[c:25]([F:38])[c:26]([O:30][CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2