HRID113321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID447

3-Chlorobenzoic acid

C7H5ClO2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)cc2)C1

HCID10269088

未命名化合物

PRODUCTS

生成物

HCID10154505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-248eae8662194fd3bd3b8d8493481984
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

[CH3:47][C:48](=[O:49])[O-:50].[CH3:54][C:55](=[O:56])[OH:57].[Cl:25][c:26]1[cH:27][c:28]([C:32]([O:33][OH:34])=[O:35])[cH:29][cH:30][cH:31]1.[Cl:36][c:37]1[cH:38][c:39]([C:43]([OH:44])=[O:45])[cH:40][cH:41][cH:42]1.[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([c:15]3[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[NH2:24])[cH:19][cH:20]3)[CH2:10][C:11]([CH3:13])([CH3:14])[CH2:12]2)[cH:6][cH:7]1.[Na+:46].[OH2:58]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[CH:12][C:11]([CH3:13])([CH3:14])[CH:10]=[C:9]2[c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[NH2:24])[cH:19][cH:20]2)[cH:6][cH:7]1