HRID1223588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：N#Cc1c(Oc2ccc(F)c(NC(=O)C(F)(F)F)c2)ccc2nc(N)sc12

HCID71819024

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)C(F)(F)F)c3)c(C#N)c2s1

HCID86644694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b7219a93c8e4eb5aeee4739e0f10533
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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