HRID311041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7509

Benzenemethanethiol

C7H8S

HCID8058

n-Hexane

C6H14

HCID166653

Hydride

H-

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(SCc3ccccc3)c2)c1

HCID21964220

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

C29H24N2O2S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53bf036000f44d9ca99598fd74b1eeae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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