Acetic Acid → HCID 59599002, compound

HRID 1554871Notes

Reaction equation

HRID 1554871 reaction equation
[C:49]([OH:50])(=[O:51])[CH3:52].[C:53].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][C:13]([NH:17][CH2:18][CH:19]([CH2:20][CH2:21][c:22]2[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]2)[OH:30])([c:31]2[cH:32][c:33]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:34][cH:35][cH:36]2)[CH2:14][CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[H:41][H:42].[Pd:54]>>[NH:11]1[CH2:12][C:13]([NH:17][CH2:18][CH:19]([CH2:20][CH2:21][c:22]2[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]2)[OH:30])([c:31]2[cH:32][c:33]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:34][cH:35][cH:36]2)[CH2:14][CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 297MethaneHCID 8857Ethyl AcetateHCID 23938PalladiumHCID 59599088HCID 59599088, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 59599002HCID 59599002, compound

Sources & evidence

ORD record
ord-736d30eecaa6416187fe139715d1d8e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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