HRID698455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID10876

Furylacrylic acid

C7H6O3

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

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=Cc5ccco5)sc4n3)c(Cl)cc2F)c1

HCID72310083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ed7c49d39049a194332a460829cc3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[NH2:35][c:36]1[s:37][c:38]2[n:39][c:40]([O:45][c:46]3[c:47]([Cl:67])[cH:48][c:49]([F:66])[c:50]([NH:52][C:53]([c:54]4[cH:55][c:56]([C:60]([CH3:61])([CH3:62])[C:63]#[N:64])[cH:57][cH:58][cH:59]4)=[O:65])[cH:51]3)[cH:41][cH:42][c:43]2[n:44]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[o:1]1[c:2]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([CH:6]=[CH:7][C:8](=[O:10])[NH:35][c:36]2[s:37][c:38]3[n:39][c:40]([O:45][c:46]4[c:47]([Cl:67])[cH:48][c:49]([F:66])[c:50]([NH:52][C:53]([c:54]5[cH:55][c:56]([C:60]([CH3:61])([CH3:62])[C:63]#[N:64])[cH:57][cH:58][cH:59]5)=[O:65])[cH:51]4)[cH:41][cH:42][c:43]3[n:44]2)[cH:3][cH:4][cH:5]1