Acetic Acid → Propionic Acid

HRID 2157105Notes

Reaction equation

HRID 2157105 reaction equation
[CH2:3]([CH3:4])[C:5](=[O:6])[OH:7].[CH3:22][C:23](=[O:24])[OH:25].[CH3:54][C:55]#[N:56].[Cl:51][CH2:52][Cl:53].[I:1][Cl:2].[In+3:34].[O:8]=[c:9]1[nH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]2[c:18]1[nH:19][cH:20][cH:21]2.[S:26]([O-:27])([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33].[S:35]([O-:36])([C:37]([F:38])([F:39])[F:40])(=[O:41])=[O:42].[S:43]([O-:44])([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50]>>[CH2:3]([CH3:4])[C:5](=[O:6])[OH:7].[I:1][c:14]1[cH:13][cH:12][c:11]2[nH:10][c:9](=[O:8])[c:18]3[c:17]([c:16]2[cH:15]1)[cH:21][cH:20][nH:19]3

Participants

10

Reactant 8

HCID 176Acetic AcidHCID 1032Propionic AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 24640Iodine chlorideHCID 105148Indium cationHCID 2758875Trifluoromethanesulfonate3×HCID 44195347HCID 44195347, compound

Product 2

HCID 1032Propionic AcidHCID 68936033HCID 68936033, compound

Sources & evidence

ORD record
ord-17e5e8527cb645c69d47fce56a0edc0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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