HRID285980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

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)CCl)sc4n3)c(Cl)cc2F)c1

HCID86646016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37d7487ba5d4a96acf432bfce1b6831
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

[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:34][CH2:35][C:36](=[O:37])[Cl:38].[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>>[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:36]([CH2:35][Cl:34])=[O:37]