HRID99712

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)cc1F

HCID24802623

4-[3-[[3-Fluoro-4-(1-methyl-1H-pyrazol-5-yl)phenyl]thio]phenyl]tetrahydro-2H-pyran-4-carboxamide

C22H22FN3O2S

PRODUCTS

生成物

结构：Cn1nccc1-c1ccc(Sc2cccc(C3(C#N)CCOCC3)c2)cc1F

HCID57864135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb55d6b36ca94d3b90db19d6b6bc11e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][c:4]([S:14][c:15]2[cH:16][c:17]([C:21]3([C:27](=[O:28])[NH2:29])[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]2)[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][n:11][n:12]1[CH3:13].[F:36][C:37]([F:38])([F:39])[C:40]([O:41][C:42](=[O:43])[C:44]([F:45])([F:46])[F:47])=[O:48].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[F:1][c:2]1[cH:3][c:4]([S:14][c:15]2[cH:16][c:17]([C:21]3([C:27]#[N:29])[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]2)[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][n:11][n:12]1[CH3:13]