HRID2316499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：O=C(OCc1ccccc1)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1

HCID11005171

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1

HCID18365441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-229c8680e9b44c02a785966cd654eab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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