Acetic Acid → 5-{[(2,4-Dimethoxyphenyl)methyl]amino}-2-benzofuran-1(3H)-one

HRID 670464Notes

Reaction equation

HRID 670464 reaction equation
[C:24]([O:25][BH-:26]([O:27][C:28](=[O:29])[CH3:30])[O:31][C:32](=[O:33])[CH3:34])(=[O:35])[CH3:36].[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:12][O:13][c:14]1[c:15]([CH:16]=[O:17])[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[NH2:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:7](=[O:8])[O:6][CH2:5]2.[Na+:37].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[NH:1]([c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:7](=[O:8])[O:6][CH2:5]2)[CH2:16][c:15]1[c:14]([O:13][CH3:12])[cH:21][c:20]([O:22][CH3:23])[cH:19][cH:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 691752,4-DimethoxybenzaldehydeHCID 7206695-AminophthalideHCID 2724942Triacetoxyborohydride

Product 1

HCID 220615235-{[(2,4-Dimethoxyphenyl)methyl]amino}-2-benzofuran-1(3H)-one

Sources & evidence

ORD record
ord-f0ed7a2d6db141de9e51e01af26cfd5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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