HRID1230328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID1099

Sulfite

O3S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：Cc1cc(COCCCCC(N=[N+]=[N-])C(=O)N2C(=O)OCC2Cc2ccccc2)ccc1F

HCID178426853

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COCCCCC(N=[N+]=[N-])C(=O)O)ccc1F

HCID90825165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-756ed9cff45d472a8bfc5beabe49c943
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

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:44].[F:1][c:2]1[c:3]([CH3:33])[cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([C:13](=[O:14])[N:15]2[CH:16]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:24][O:25][C:26]2=[O:27])[N:28]=[N+:29]=[N-:30])[cH:31][cH:32]1.[Li+:37].[Na+:42].[Na+:43].[OH-:36].[OH2:50].[OH2:51].[OH:34][OH:35].[S:38](=[O:39])([O-:40])[O-:41]>>[F:1][c:2]1[c:3]([CH3:33])[cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([C:13]([OH:14])=[O:39])[N:28]=[N+:29]=[N-:30])[cH:31][cH:32]1