Acetic Acid → HCID 12691759, compound

HRID 2144788Notes

Reaction equation

HRID 2144788 reaction equation
[BH3:16].[C:22]([OH:23])(=[O:24])[CH3:25].[CH2:17]1[O:18][CH2:19][CH2:20][CH2:21]1.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:15])[n:7][c:8]([CH3:14])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Na+:31].[O-:27][C:28]([OH:29])=[O:30].[OH2:26].[OH2:37]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:15])[n:7][c:8]([CH3:14])[c:9]([CH2:10][OH:11])[cH:13]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 6331BoraneHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 68669960HCID 68669960, compound

Product 1

HCID 12691759HCID 12691759, compound

Sources & evidence

ORD record
ord-92f97bcad07e492f871eef51925d17c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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