HRID124936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID79980

Diethyl 2,5-dihydroxyterephthalate

C12H14O6

HCID166653

Hydride

H-

结构：O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Cl

HCID1547956

1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene

C7H3ClF3NO4S

PRODUCTS

生成物

结构：CCOC(=O)c1cc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c(C(=O)OCC)cc1O

HCID9957874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ed3bce87e07471d8bcac79760d07991
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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