HRID2140944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1

HCID24986635

PF-4191834

C22H23N3O2S

PRODUCTS

生成物

结构：Cn1nccc1-c1ccc(Sc2cccc(C3(C#N)CCOCC3)c2)cc1

HCID57864107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27200ffc388940808cdf8d1245bef8e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:20]3([C:26](=[O:27])[NH2:28])[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:17][cH:18][cH:19]2)[cH:11][cH:12]1.[Cl:48][CH2:49][Cl:50].[F:35][C:36]([F:37])([F:38])[C:39]([O:40][C:41](=[O:42])[C:43]([F:44])([F:45])[F:46])=[O:47].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:20]3([C:26]#[N:28])[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:17][cH:18][cH:19]2)[cH:11][cH:12]1