Acetic Acid → HCID 70595812, compound

HRID 2137115Notes

Reaction equation

HRID 2137115 reaction equation
[Al+3:31].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:2][C:3](=[O:4])[OH:5].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:28].[H-:30].[H-:33].[H-:34].[H-:35].[IH:1].[Li+:32].[NH3:29].[Na+:37].[OH-:36].[S:24]([Cl:25])([Cl:26])=[O:27].[c:6]1(-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:7]([CH:12]([CH2:13][C:14]([OH:15])=[O:16])[CH3:17])[cH:8][cH:9][cH:10][cH:11]1>>[c:6]1(-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:7]([CH:12]([CH2:13][CH2:14][NH2:29])[CH3:17])[cH:8][cH:9][cH:10][cH:11]1

Participants

14

Reactant 13

HCID 176Acetic AcidHCID 222AmmoniaHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 24841Hydrogen iodideHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 70595388HCID 70595388, compound

Product 1

HCID 70595812HCID 70595812, compound

Sources & evidence

ORD record
ord-139c5cae05b9481a80a1b8693a8a566d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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