Formic Acid → 4,7-Dihydroxy-3-(3-nitrobenzyl)-2-oxo-2H-1-benzopyran

HRID 1234804Notes

Reaction equation

HRID 1234804 reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH:32]([OH:33])=[O:34].[ClH:35].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]1.[OH:1][c:2]1[cH:3][c:4](=[O:13])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([OH:12])[cH:11]2>>[OH:1][c:2]1[c:3]([CH2:20][c:19]2[cH:18][c:17]([N+:14](=[O:15])[O-:16])[cH:24][cH:23][cH:22]2)[c:4](=[O:13])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([OH:12])[cH:11]2

Participants

7

Reactant 6

HCID 284Formic AcidHCID 313Hydrochloric AcidHCID 74493-NitrobenzaldehydeHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 546796304,7-Dihydroxycoumarin

Product 1

HCID 591394244,7-Dihydroxy-3-(3-nitrobenzyl)-2-oxo-2H-1-benzopyran

Sources & evidence

ORD record
ord-44e95c28accb49228ddaf240ba3a602e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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