HRID1228641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID62324

Propanoyl chloride

C3H5ClO

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(N)sc4n3)c(Cl)cc2F)c1

HCID86646015

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1nc2ccc(Oc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)c(F)cc3Cl)nc2s1

HCID59507067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a48f33cfb05543b8ba519ad566a9ca3d
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

[C:34]([CH2:35][CH3:36])(=[O:37])[Cl:38].[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[c:13]([Cl:33])[cH:14][c:15]([F:32])[c:16]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[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[c:13]([Cl:33])[cH:14][c:15]([F:32])[c:16]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[cH:17]3)[cH:7][cH:8][c:9]2[n:10]1)[C:34]([CH2:35][CH3:36])=[O:37]