HRID165233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

4 次

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1099

Sulfite

O3S-2

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate Ion

CO3-2

HCID120273

N-Iodosuccinimide

C4H4INO2

HCID141618

N,N,N',N''''-Tetramethylguanidine

C5H13N3

HCID22274497

4'-Hydroxy-3'-methyl[1,1'-biphenyl]-4-carbonitrile

C14H11NO

PRODUCTS

产物

HCID22274583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c5dd09c213a4349bf28aebbb62a5ee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:25][NH:26][C:27](=[N:28][CH3:29])[N:30]([CH3:31])[CH3:32].[I:17][N:18]1[C:19](=[O:20])[CH2:21][CH2:22][C:23]1=[O:24].[K+:45].[Na+:37].[Na+:38].[Na+:43].[Na+:44].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:1][c:2]1[c:3]([CH3:16])[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:6][cH:7]1.[OH:46][P:47](=[O:48])([O-:49])[OH:50].[S:33]([O-:34])([O-:35])=[O:36]>>[OH:1][c:2]1[c:3]([CH3:16])[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:6][c:7]1[I:17]