HRID1564853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

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：CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C=Cc5ccccc5)sc4n3)c(Cl)cc2F)c1

HCID72310086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c23cce0713ca41a78ddcea082ad2c95d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:34][C:35]([N:36]([CH3:37])[CH3:38])=[O:39].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[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.[c:40]1([CH:46]=[CH:47][C:48](=[O:49])[Cl:50])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]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:48]([CH:47]=[CH:46][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:49]