HRID662837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CC(C)c1cc(C(=O)OC(C)(C)C)n(-c2ccc(F)c([N+](=O)[O-])c2)n1

HCID67253215

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(=O)OC(C)(C)C)n(-c2ccc(O)c([N+](=O)[O-])c2)n1

HCID67253892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2b76ff37e5442d79f5d0b8bf4001d48
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

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