HRID1565772

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-

HCID4641409

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

C10H15N6O+

HCID66810473

未命名化合物

结构：CC(=O)Nc1nc2ccc(Oc3cccc(N)c3)c(C#N)c2s1

HCID86644686

N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide

C16H12N4O2S

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(OC(C)(C)C#N)c4)c3)c(C#N)c2s1

HCID59454485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c6733755918434db4548b630b70cee1
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

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