Acetic Acid → 3-Nitro-[1,1'-biphenyl]-4-carbaldehyde

HRID 2338424Notes

Reaction equation

HRID 2338424 reaction equation
[Ag+:55].[C:26](=[O:27])([OH:28])[O-:29].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:20][C:21]([CH3:22])([O-:23])[CH3:24].[CH3:41][OH:42].[CH3:43][C:44]#[N:45].[CH3:56][C:57](=[O:58])[OH:59].[CH:16]([Cl:17])([Cl:18])[Cl:19].[F:47][C:48]([F:49])([F:50])[S:51]([O-:52])(=[O:53])=[O:54].[K+:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7][cH:8][cH:9]1.[Na+:30].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:46]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7][cH:8][c:9]1[CH:21]=[O:23]

Participants

15

Reactant 14

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 164501,1'-Biphenyl, 3-nitro-HCID 104755Silver cationHCID 2758875TrifluoromethanesulfonateHCID 45749132-Methylpropan-2-olate

Product 1

HCID 179894023-Nitro-[1,1'-biphenyl]-4-carbaldehyde

Sources & evidence

ORD record
ord-199aba5eaa4c46098d0039359d2af2d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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