HRID139206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID813

Potassium cation

K+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CC(C)(C)NC(=O)c1cc(Oc2c(C=O)ccc(Br)c2F)cc(C(=O)NC(C)(C)C)c1

HCID86623640

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cc(Oc2c(O)ccc(Br)c2F)cc(C(=O)NC(C)(C)C)c1

HCID69101573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40b7df659bab43cdb64de0c97fec2198
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:3][c:4]1[c:5]([F:33])[c:6]([O:7][c:8]2[cH:9][c:10]([C:21](=[O:22])[NH:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:11][c:12]([C:13](=[O:14])[NH:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20]2)[c:28]([CH:31]=[O:32])[cH:29][cH:30]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:45][CH2:46][Cl:47].[K+:39].[K+:40].[K+:41].[Li+:43].[OH-:42].[OH2:44].[OH2:48].[OH:1][OH:2].[P:34](=[O:35])([O-:36])([O-:37])[O-:38]>>[Br:3][c:4]1[c:5]([F:33])[c:6]([O:7][c:8]2[cH:9][c:10]([C:21](=[O:22])[NH:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:11][c:12]([C:13](=[O:14])[NH:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20]2)[c:28]([OH:35])[cH:29][cH:30]1