HRID176921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID4641409

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

C10H15N6O+

HCID21877349

5-Methyl-1,3-thiazole-2-carboxylic acid

C5H5NO2S

结构：CN(c1cccc(N)c1)c1ccc2c(C=Cc3ccccc3)n[nH]c2c1

HCID69370903

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C(=O)Nc2cccc(N(C)c3ccc4c(C=Cc5ccccc5)n[nH]c4c3)c2)s1

HCID69872305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7a45180bd5749618df6eb2092db8e08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][N:2]([c:3]1[cH:4][c:5]([NH2:9])[cH:6][cH:7][cH:8]1)[c:10]1[cH:11][cH:12][c:13]2[c:14]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:15][nH:16][c:17]2[cH:18]1.[CH3:27][c:28]1[cH:29][n:30][c:31]([C:33](=[O:34])[OH:35])[s:32]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[Cl:77][CH2:78][Cl:79].[K+:60].[K+:61].[O-:62][C:63]([O-:64])=[O:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([NH:9][C:33]([c:31]2[n:30][cH:29][c:28]([CH3:27])[s:32]2)=[O:34])[cH:6][cH:7][cH:8]1)[c:10]1[cH:11][cH:12][c:13]2[c:14]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:15][nH:16][c:17]2[cH:18]1