HRID319609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6367

Acetyl chloride

C2H3ClO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Nc1nc2ccc(Oc3ccc(Cl)c(NC(=O)C(F)(F)F)c3)nc2s1

HCID57384282

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(Cl)c(NC(=O)C(F)(F)F)c3)nc2s1

HCID86646052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84c63199d3cb410fb2eafb8b613aa4aa
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

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