HRID816091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3033

Diclofenac

C14H11Cl2NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID3082127

5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione

C9H6OS3

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)Oc1ccc(-c2cc(=S)ss2)cc1

HCID11948307

S-Diclofenac

C23H15Cl2NO2S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c0d8160a9584fdc9af73a1598fc756c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:30]1([N:31]=[C:32]=[N:33][CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[NH:11][c:12]1[c:13]([Cl:14])[cH:15][cH:16][cH:17][c:18]1[Cl:19].[OH:20][c:21]1[c:22]2[n:23][n:24][nH:25][c:26]2[cH:27][cH:28][cH:29]1.[OH:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][c:54](=[S:57])[s:55][s:56]2)[cH:50][cH:51]1>>[O:1]=[C:2]([O:3][c:46]1[cH:47][cH:48][c:49](-[c:52]2[cH:53][c:54](=[S:57])[s:55][s:56]2)[cH:50][cH:51]1)[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[NH:11][c:12]1[c:13]([Cl:14])[cH:15][cH:16][cH:17][c:18]1[Cl:19]