HRID1122333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：COC(=O)N(Cc1cc(SC)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID86615396

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(S(C)=O)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11707037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-806829c3bb5247b3b6cb536c9efec5b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:39][CH3:40])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([C:22]([O:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][c:29]([S:37][CH3:38])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[Cl:57][CH2:58][Cl:59].[Na+:56].[OH:41][O:42][C:43]([c:44]1[cH:45][c:46]([Cl:47])[cH:48][cH:49][cH:50]1)=[O:51].[S:52](=[O:53])([OH:54])[O-:55]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:39][CH3:40])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([C:22]([O:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][c:29]([S:37]([CH3:38])=[O:41])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1