Acetic Acid → 6-[(hexylamino)methyl]-2,2-dimethyl-4H-1,3-benzodioxin-4-one

HRID 2156959Notes

Reaction equation

HRID 2156959 reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH2:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[NH2:22].[CH3:1][C:2]1([CH3:15])[O:3][C:4](=[O:14])[c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]=[O:13])[cH:11]2)[O:7]1.[CH3:23][C:24](=[O:25])[OH:26].[Cl:41][CH2:42][Cl:43].[Na+:40]>>[CH3:1][C:2]1([CH3:15])[O:3][C:4](=[O:14])[c:5]2[c:6]([cH:8][cH:9][c:10]([CH2:12][NH:22][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:11]2)[O:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8102HexylamineHCID 2724942TriacetoxyborohydrideHCID 575545102,2-Dimethyl-4-oxo-4H-benzo[d][1,3]dioxine-6-carbaldehyde

Product 1

HCID 575545526-[(hexylamino)methyl]-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Sources & evidence

ORD record
ord-5afafb7bd4444ff1bda7cd99845c183e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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