Citric Acid → Phenylmethyl 2-[(4-hydroxy-3-nitrophenyl)carbonyl]benzoate

HRID 676631Notes

Reaction equation

HRID 676631 reaction equation
[Br:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cs+:26].[Cs+:27].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:60].[OH:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[OH:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[O:14][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 962WaterHCID 6228DimethylformamideHCID 7498Benzyl BromideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2257052-(4-Hydroxy-3-nitrobenzoyl)benzoic acid

Product 1

HCID 67045173Phenylmethyl 2-[(4-hydroxy-3-nitrophenyl)carbonyl]benzoate

Sources & evidence

ORD record
ord-9f4ac3ecc04d446caf33de3cbbe0e325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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