HRID1567001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7969

Benzenethiol

C6H6S

结构：Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(F)c2)c1

HCID10273929

5-(2-FLUORO-4-PYRIDYL)-4-(3-METHYLPHENYL)-2-(4-METHYLSULFONYLPHENYL)-1,3-THIAZOLE

C22H17FN2O2S2

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(Sc3ccccc3)c2)c1

HCID21964257

4-{2-[4-(Methanesulfonyl)phenyl]-4-(3-methylphenyl)-1,3-thiazol-5-yl}-2-(phenylsulfanyl)pyridine

C28H22N2O2S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2cd7afbbdb14f879c595b85d4e964f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[F:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[cH:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]3)[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]3)[s:12]2)[cH:7]1.[Na+:37].[OH:38][C:39](=[O:40])[O-:41].[SH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:2]1([S:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[cH:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]3)[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]3)[s:12]2)[cH:7]1