Acetic Acid → HCID 67334961, compound

HRID 136970Notes

Reaction equation

HRID 136970 reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH2:17]([CH3:18])[NH:19][CH2:20][CH3:21].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:22][C:23](=[O:24])[OH:25].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:10]2)[cH:16]1.[NH4+:41].[Na+:39].[OH-:40].[OH2:53]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:10]2)[cH:16]1)[N:19]([CH2:17][CH3:18])[CH2:20][CH3:21]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8021DiethylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 13343417HCID 13343417, compound

Product 1

HCID 67334961HCID 67334961, compound

Sources & evidence

ORD record
ord-1a023a30ae08495e971fcf591e60f7a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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