Acetic Acid → HCID 86608808, compound

HRID 1124767Notes

Reaction equation

HRID 1124767 reaction equation
[C:42].[CH3:33][CH2:34][OH:35].[CH3:36][C:37](=[O:38])[OH:39].[NH2:1][C:2]1=[C:3]([CH3:32])[C:4]([CH3:31])=[C:5]2[CH:6]([CH2:7][C:8]([CH3:10])([CH2:11][C:12]3=[CH:17][CH2:16][N:15]([c:18]4[cH:19][cH:20][c:21](-[n:24]5[cH:25][n:26][cH:27][cH:28]5)[cH:22][cH:23]4)[CH2:14][CH2:13]3)[O:9]2)[CH:29]1[CH3:30].[Na+:41].[OH-:40].[OH2:44].[Pd:43]>>[NH2:1][C:2]1=[C:3]([CH3:32])[C:4]([CH3:31])=[C:5]2[CH:6]([CH2:7][C:8]([CH3:10])([CH2:11][CH:12]3[CH2:13][CH2:14][N:15]([c:18]4[cH:19][cH:20][c:21](-[n:24]5[cH:25][n:26][cH:27][cH:28]5)[cH:22][cH:23]4)[CH2:16][CH2:17]3)[O:9]2)[CH:29]1[CH3:30]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 297MethaneHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 23938PalladiumHCID 86608806HCID 86608806, compound

Product 1

HCID 86608808HCID 86608808, compound

Sources & evidence

ORD record
ord-d91cfe1e86254a0daba217050ac671cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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