Acetic Acid → HCID 19900616, compound

HRID 1146040Notes

Reaction equation

HRID 1146040 reaction equation
[C:1]([O:2][CH2:3][CH:4]1[CH:5]([CH2:6][O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[O:15]1)([O:16][c:17]1[c:18]([CH3:46])[c:19]2[c:24]([c:25]([CH3:28])[c:26]1[CH3:27])[O:23][C:22]([CH2:29][CH2:30][CH2:31][CH:32]([CH2:33][CH2:34][CH2:35][CH:36]([CH2:37][CH2:38][CH2:39][CH:40]([CH3:41])[CH3:42])[CH3:43])[CH3:44])([CH3:45])[CH2:21][CH2:20]2)=[O:47].[C:53].[CH3:48][CH2:49][OH:50].[CH3:55][C:56](=[O:57])[OH:58].[H:51][H:52].[Pd:54]>>[C:1]([O:2][CH2:3][CH:4]1[CH:5]([CH2:6][OH:7])[O:15]1)([O:16][c:17]1[c:18]([CH3:46])[c:19]2[c:24]([c:25]([CH3:28])[c:26]1[CH3:27])[O:23][C:22]([CH2:29][CH2:30][CH2:31][CH:32]([CH2:33][CH2:34][CH2:35][CH:36]([CH2:37][CH2:38][CH2:39][CH:40]([CH3:41])[CH3:42])[CH3:43])[CH3:44])([CH3:45])[CH2:21][CH2:20]2)=[O:47]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 297MethaneHCID 702EthanolHCID 23938PalladiumHCID 21685080HCID 21685080, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 19900616HCID 19900616, compound

Sources & evidence

ORD record
ord-2a1de273e1024b02b6cbb7acc52082d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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