HRID284269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

结构：CCc1nc(-c2cccc(C)c2)c(-c2ccnc(CCl)c2)s1

HCID22932699

2-(Chloromethyl)-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine

C18H17ClN2S

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2cccc(C)c2)c(-c2ccnc(CC#N)c2)s1

HCID22932829

{4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetonitrile

C19H17N3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afd97a39d7ad4b3fa37a83697ef7a6ad
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

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