HRID1237350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1068

Dimethyl sulfide

C2H6S

反应SMILES：COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC

HCID4865

5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one

C22H22O8

HCID6395

Methanesulfonic acid

CH4O3S

HCID6422

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O

HCID500181

9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

C21H20O8

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e0a7a5aae3fe4766aee5c55f4ab4f9be
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

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